salicylic acid — label CAS 69-72-7

salicylic acid

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MolGod_SDSCARD_1
REACH 2020/878
v2 · 15.07.2026
SKU: ODCZ-69-72-7 Category:
🧬 3D Molecule Visualizer
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3D model Salicylic Acid, CAS 69-72-7, molecular formula C7H6O3, molar mass 138.12 g/mol
Chemical Overview: Salicylic AcidMolGod_OVERVIEW_1
Molecular formulaC7H6O3
Molecular weight138.12 g/mol
Melting point158.6 °C
Boiling point211 °C
Density1.443 g/cm³
LogP (lipophilicity)2.26
pKa2.97
IUPAC name2-hydroxybenzoic acid
SMILESC1=CC=C(C(=C1)C(=O)O)O
InChIKeyYGSDEFSMJLZEOE-UHFFFAOYSA-N

Synonyms: salicylic acid · 2-Hydroxybenzoic acid · 69-72-7 · o-hydroxybenzoic acid · 2-Carboxyphenol

Data sources: PubChem (NLM/NIH), IUPAC Stability Constants Database (Pettit & Powell 1993)
Last updated: 2026-11-10

SCIENTIFIC RESEARCH

[1]EuropePMC2026
From signalling to resistance; delineating the multifaceted role of salicylic acid as the key modulator of biotic stress…
Bhar, A; Gupta, S; Banerjee, DB. 2026. "From signalling to resistance; delineating the multifaceted role of salicylic acid as the key modulator of biotic stress tolerance." Functional plant biology :
Go to full study ↗
[2]EuropePMC2026
Temperature stress-induced production of salicylic acid from endophytic <i>Aspergillus flavus</i> with its <i>in silico</i> and <i>in vitro</i> anti-inflammatory…
Saleem, A; Ahmad, S; Khattak, SU; Jalil, H. 2026. "Temperature stress-induced production of salicylic acid from endophytic <i>Aspergillus flavus</i> with its <i>in silico</i> a
Go to full study ↗
[3]EuropePMC2026
A Novel Retinoid and Salicylic Acid Topical Treatment for Moderate-Severe Acne.
Hornby, SB; Ly, YH; Obagi, ZA; Obagi, ZE. 2026. "A Novel Retinoid and Salicylic Acid Topical Treatment for Moderate-Severe Acne." Journal of drugs in dermatology : JDD. https://doi.org/10.36849/jdd.93
Go to full study ↗
[4]EuropePMC2026
The Protective Role of Salicylic Acid-Conjugated Chitosan Nanoparticles Against Cryodamage in Buffalo Semen.
Khalil, WA; Ismail, AA; Hassan, MAE; El-Harairy, MA. 2026. "The Protective Role of Salicylic Acid-Conjugated Chitosan Nanoparticles Against Cryodamage in Buffalo Semen." Reproduction in domestic anima
Go to full study ↗
[5]EuropePMC2026
Ascorbic and salicylic acid regulate antioxidant defense and drought stress responses in maize.
Abdul Khaliq, A; Naeem, MS; Din, KU; Ahmad, M. 2026. "Ascorbic and salicylic acid regulate antioxidant defense and drought stress responses in maize." Plant signaling & behavior. https://doi.org/10.10
Go to full study ↗
[6]EuropePMC2026
Combination therapy using Ciclopirox and Salicylic acid incorporated Chitosan lotion for onychomycosis treatment.
Mohandas, M; Raj, GS; Suresh, T; Jayaprakash, V. 2026. "Combination therapy using Ciclopirox and Salicylic acid incorporated Chitosan lotion for onychomycosis treatment." International journal of biol
Go to full study ↗
[7]EuropePMC2026
Combined application of hot water and salicylic acid treatment preserves postharvest quality of mangoes.
Singh, U; Darshan, D; Singh, SN; Bhushan, A. 2026. "Combined application of hot water and salicylic acid treatment preserves postharvest quality of mangoes." Scientific reports. https://doi.org/10.103
Go to full study ↗
[8]EuropePMC2026
Salicylic acid attenuates paclitaxel-induced toxicity by modulating interleukin expression: an <i>in vivo</i> study.
Al-Najar, F; Shahbazi, S; Reiisi, S; Saffar, B. 2026. "Salicylic acid attenuates paclitaxel-induced toxicity by modulating interleukin expression: an <i>in vivo</i> study." Drug and chemic
Go to full study ↗
📚 Scientific references (Chicago Author-Date) 15 refs · 2 baz

MOLEKUŁA Per-CAS bibliography (live from 13+ databases)

Sources: db:europepmc (15)

  1. db:europepmc Bhar, A; Gupta, S; Banerjee, DB. 2026. "From signalling to resistance; delineating the multifaceted role of salicylic acid as the key modulator of biotic stress tolerance." Functional plant biology : FPB. https://doi.org/10.1071/fp25406. →
  2. db:europepmc Saleem, A; Ahmad, S; Khattak, SU; Jalil, H. 2026. "Temperature stress-induced production of salicylic acid from endophytic <i>Aspergillus flavus</i> with its <i>in silico</i> and <i>in vitro</i> anti-inflammatory potential and promising effect in combination with ibuprofen." Frontiers in microbiology. https://doi.org/10.3389/fmicb.2026.1777668. →
  3. db:europepmc Hornby, SB; Ly, YH; Obagi, ZA; Obagi, ZE. 2026. "A Novel Retinoid and Salicylic Acid Topical Treatment for Moderate-Severe Acne." Journal of drugs in dermatology : JDD. https://doi.org/10.36849/jdd.9390. →
  4. db:europepmc Khalil, WA; Ismail, AA; Hassan, MAE; El-Harairy, MA. 2026. "The Protective Role of Salicylic Acid-Conjugated Chitosan Nanoparticles Against Cryodamage in Buffalo Semen." Reproduction in domestic animals = Zuchthygiene. https://doi.org/10.1111/rda.70247. →
  5. db:europepmc Abdul Khaliq, A; Naeem, MS; Din, KU; Ahmad, M. 2026. "Ascorbic and salicylic acid regulate antioxidant defense and drought stress responses in maize." Plant signaling & behavior. https://doi.org/10.1080/15592324.2026.2664295. →
  6. db:europepmc Mohandas, M; Raj, GS; Suresh, T; Jayaprakash, V. 2026. "Combination therapy using Ciclopirox and Salicylic acid incorporated Chitosan lotion for onychomycosis treatment." International journal of biological macromolecules. https://doi.org/10.1016/j.ijbiomac.2026.152906. →
  7. db:europepmc Singh, U; Darshan, D; Singh, SN; Bhushan, A. 2026. "Combined application of hot water and salicylic acid treatment preserves postharvest quality of mangoes." Scientific reports. https://doi.org/10.1038/s41598-026-57333-4. →
  8. db:europepmc Al-Najar, F; Shahbazi, S; Reiisi, S; Saffar, B. 2026. "Salicylic acid attenuates paclitaxel-induced toxicity by modulating interleukin expression: an <i>in vivo</i> study." Drug and chemical toxicology. https://doi.org/10.1080/01480545.2025.2593476. →
  9. db:europepmc Safaiefar, P; Reiisi, S; Haghi, M; Shirian, S. 2026. "A PVA/chitosan/gelatin scaffold incorporating salicylic acid-loaded TiO₂ nanoparticles enhances collagen I expression and accelerates cutaneous wound repair in mice." Biotechnology progress. https://doi.org/10.1002/btpr.88500. →
  10. db:europepmc Jangra, M; Devi, S; Satpal, S; Ahlawat, YK. 2026. "Salicylic acid and silicon cross talk influence physiological and biochemical attributes of sorghum under salinity stress." Scientific reports. https://doi.org/10.1038/s41598-026-56646-8. →
  11. db:europepmc Mateo-Bonmatí, E. 2026. "A chromatin reader connects salicylic acid signaling to the RNA polymerase II gearbox in plants." Developmental cell. https://doi.org/10.1016/j.devcel.2026.04.009. →
  12. db:europepmc Lima, MRN; Nguyen, NQ; Safi, L; Gill, T. 2026. "Tailored dual release of retinol and salicylic acid from salicylate-based poly(anhydride-ester) microspheres with tunable degradation profiles." International journal of pharmaceutics. https://doi.org/10.1016/j.ijpharm.2026.126905. →
  13. db:europepmc Fu, J; Zhu, R; Li, X; Liu, X. 2026. "A Plasmodiophora Brassicae Effector PbCBM1 Promotes Clubroot Susceptibility by Competitively Binding to AtPHB3 to Disrupt Salicylic Acid Biosynthesis in Plants." Plant, cell & environment. https://doi.org/10.1111/pce.70638. →
  14. db:europepmc Api, AM; Bartlett, A; Belsito, D; Botelho, D. 2024. "RIFM fragrance ingredient safety assessment, 2-hydroxybenzoic acid, CAS Registry Number 69-72-7." Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2024.114944. →
  15. db:europepmc Sccs,; Panteri, E; ,; ,. 2019. "Opinion of the Scientific Committee on Consumer safety (SCCS) - Opinion on the safety of cosmetic ingredient salicylic acid (CAS 69-72-7)." Regulatory toxicology and pharmacology : RTP. https://doi.org/10.1016/j.yrtph.2019.05.001. →
📊 Physicochemical properties

Quick Reference

Formula: C7H6O3
MW: 138.12 g/mol
CAS: 69-72-7
Appearance: White crystals, fine needles, or fluffy white crystalline powder
Odour: SYNTHETIC ACID IS ODORLESS
Odour: SYNTHETIC ACID IS ODORLESS

Detailed Properties

Property Value Unit Conditions Source
Density (ρ) 1.4430 g/cm³ 25 °C (77 °F) IUPAC Stability Constants Database (Pettit & Powell 1993)
Melting Point (mp) 158.60 °C (317.5 °F) 1 atm IUPAC Stability Constants Database (Pettit & Powell 1993)
Boiling Point (bp) 211.00 °C (411.8 °F) 1 atm IUPAC Stability Constants Database (Pettit & Powell 1993)
Water Solubility 2.240 g/L 25 °C (77 °F) IUPAC Stability Constants Database (Pettit & Powell 1993)
pKa 2.970 25 °C (77 °F) IUPAC Stability Constants Database (Pettit & Powell 1993)
🔬 Advanced Properties

Chemical Identifiers

SMILES: C1=CC=C(C(=C1)C(=O)O)O

Data sources: PubChem, NIST Chemistry WebBook, CRC Handbook of Chemistry and Physics (103rd ed.)

Last updated: 2026-06-12

Regulatory status of the substance
This substance is subject to regulatory requirements: hazardous waste management (BDO register). Details in the \"Regulatory Status (REACH/ECHA/CLP)\" section and on the SDS. Regulatory information — does not restrict purchase in this store.
🧮 Stoichiometry CalculatorMolGod_STOICH_1
🔍 External identifiersMolGod_EXTID_1
14 of 16 ID systems88%
DatabaseIdentifierActions
CAS Registry Number69-72-7Open →
PubChem CID338Open →
InChIKeyYGSDEFSMJLZEOE-UHFFFAOYSA-NOpen →
InChIInChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,…
SMILESC1=CC=C(C(=C1)C(=O)O)O
EC Number200-712-3Open →
DrugBankDB00936Open →
KEGG CompoundD00097Open →
HMDBHMDB0001895Open →
ChemSpider331Open →
MeSH UID (NLM)D020156Open →
UNII (FDA)O414PZ4LPZOpen →
NSC Number (NCI)180Open →
WikiData QIDQ193572Open →

Sources: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📡 Spectroscopy — CAS 69-72-7MolGod_SPECHUB_MAIN
📊 Spectroscopic spectra databases — inline data 9 sources MolGod_SPECDB_2

Spectra are fetched on demand from 9 sources. Each spectrum is stored in our database — the next time it is opened there are zero requests to the external API. Download JCAMP-DX / CSV / PNG for every spectrum without searching.

IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
MS (NIST) Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
¹H NMR NMR (¹H, ¹³C) — NMRShiftDB
CC-BY-SA 4.0
▶ Click to load spectrum
🔗 Source
— points
📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g
MS (MoNA) MoNA — MassBank of North America
CC-BY 4.0
▶ Click to load spectrum
🔗 Source
— points
📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777
IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)
Free for non-commercial

Reference source — no public API. Open in an external database:

🔗 IR/NMR/MS (SDBS) →
📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)
JP Monograph Japanese Pharmacopoeia — Monographs
Reference only

Reference source — no public API. Open in an external database:

🔗 JP Monograph →
📚 Japanese Pharmacopoeia 18th Edition (2021)
WHO INN WHO — International Nonproprietary Names
WHO Model Lists (free)

Reference source — no public API. Open in an external database:

🔗 WHO INN →
📚 WHO INN Programme
DOAJ DOAJ — Directory of Open Access Journals
OA journal index (mixed)

Reference source — no public API. Open in an external database:

🔗 DOAJ →
📚 DOAJ — doaj.org

Data retrieved via MolGod_Spectra_Remote_Fetcher (JCAMP-DX parser) and stored in the wp_molgod_spectra_cache table. Zero duplicate downloads, zero repeat queries to NIST on subsequent visits. Licensing terms are respected (only a deep link plus our own visualization is published).

🔬 Interactive spectra (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Data retrieved live from multiple sources (priority chain). JCAMP-DX / CSV / PNG available for download under each spectrum. ⓘ Single source ★★☆☆☆

IR — Fourier-transform infrared

Loading IR — Fourier-transform infrared…

MS — Mass spectrometry (EI 70eV)

Loading MS — Mass spectrometry (EI 70eV)…

📐 Physical & Chemical Properties (DB) 10 fields MolGod Score: Primary
Property Value Unit Conditions Source
Melting point 158.60 [2][6][11] °C 1 atm IUPAC Stability Constants Database (Pettit & Powell 1993)
Boiling point 211.00 [2][6][11] °C 20 mmHg IUPAC Stability Constants Database (Pettit & Powell 1993)
Water solubility 2.240 [2] g/L 25°C IUPAC Stability Constants Database (Pettit & Powell 1993)
Density (ρ) 1.4430 [2] g/cm³ 25°C IUPAC Stability Constants Database (Pettit & Powell 1993)
UV λmax 296 [2] nm water/MeOH IUPAC Stability Constants Database (Pettit & Powell 1993)
UV εmax 3700 [2] M⁻¹·cm⁻¹ at λmax IUPAC Stability Constants Database (Pettit & Powell 1993)
pKa₁ 2.970 [2][10] — 25°C IUPAC Stability Constants Database (Pettit & Powell 1993)
pKa₂ 13.820 [2][10] — 25°C IUPAC Stability Constants Database (Pettit & Powell 1993)
logP (octanol/water) 2.260 [2][8][9] — 25°C IUPAC Stability Constants Database (Pettit & Powell 1993)
logD (pH 7) -1.770 [2][8][9] — pH 7.4 IUPAC Stability Constants Database (Pettit & Powell 1993)
📚 Scientific references (Chicago Author-Date) (12 sources)
  1. Haynes, William M., ed. 2024. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton: CRC Press/Taylor & Francis. ISBN 978-1-032-55554-4. ↗
  2. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
  3. Yaws, Carl L. 2014. The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals. 2nd ed. Oxford: Gulf Professional Publishing.
  4. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
  5. Marrero, J., and R. Gani. 2001. "Group-Contribution Based Estimation of Pure Component Properties." Fluid Phase Equilibria 183–184: 183–208. ↗
  6. Joback, K. G., and R. C. Reid. 1987. "Estimation of Pure-Component Properties from Group-Contributions." Chemical Engineering Communications 57 (1–6): 233–243. ↗
  7. Sangster, J. 1997. Octanol-Water Partition Coefficients: Fundamentals and Physical Chemistry. Chichester: Wiley. ISBN 978-0-471-97397-3.
  8. Mannhold, Raimund, and Han van de Waterbeemd. 2001. "Substructure and Whole Molecule Approaches for Calculating Log P." Journal of Computer-Aided Molecular Design 15 (4): 337–354. ↗
  9. Perrin, Ditlev D., Boyd Dempsey, and E. P. Serjeant. 1981. pKa Prediction for Organic Acids and Bases. London: Chapman and Hall. ISBN 0-412-21090-5.
  10. Constantinou, Leonidas, and Rafiqul Gani. 1994. "New Group Contribution Method for Estimating Properties of Pure Compounds." AIChE Journal 40 (10): 1697–1710. ↗
  11. Ertl, Peter, Bernhard Rohde, and Paul Selzer. 2000. "Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties." Journal of Medicinal Chemistry 43 (20): 3714–3717. ↗
🔄 Concentration unit converter LIVE MolGod_UNITCONV_1

Enter the Salicylic Acid concentration in any unit — the rest will be calculated automatically.

MW: 138.12 g/mol · IUPAC Gold Book ↗

⚗️ Conversion formulas + citations (per formula)
ConversionFormulaAccuracySource
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarityc (mol/L) = (g/L) / MW±0.1% (depends on MW precision)Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliography (8 authoritative sources)
  1. Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
    → Primary SI standard for US scientific usage
  2. Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
    → Canonical IUPAC guide for chemistry quantities/units
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
    → General rules for physical quantities and units
  5. ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
    → Concentration / molality / amount-of-substance conventions
  6. Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
    → Avogadro, gas constant, molar volume (2019 SI revision)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
    → Historical predecessor of IUPAC Green Book
🧪 Solution Preparation Wizard WIZARD MolGod_PREP_1
① Select concentration
② Target volume
③ Solvent

Calculations per: IUPAC Gold Book ↗, Merck ↗

Solvent compatibilityMolGod_SOLV_1

Estimate based on water solubility and logP. Indicative data — does not replace experimental studies.

SolventCompatibilityNotesReferences
Water~ ModerateModerate logP
EtOH+ GoodEtOH — universal polar solvent
Acetone+ GoodAcetone — good for moderately polar compounds
DCM+ GoodDCM — good for nonpolar compounds
DMSO+ GoodDMSO — strong aprotic solvent
THF+ GoodTHF — broad solubility range
Hexane- PoorPoor solubility in hexane
CHCl3+ GoodCHCl3 — good for moderately polar and nonpolar compounds

Data sources for logP/solubility: logP: 2.30

📚 Scientific references for solvents (Chicago Author-Date) — click to expand

Each solvent is supported by 5 independent scientific sources (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/GESTIS). Full citations below.

Water · NIST CAS lookup ↗
  1. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  2. International Association for the Properties of Water and Steam (IAPWS). 1997. "Release on the Static Dielectric Constant of Ordinary Water Substance." IAPWS R8-97. [link ↗]
  3. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  4. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834. [link ↗]
  5. IFA. n.d. "Water." GESTIS Substance Database. Institut für Arbeitsschutz der Deutschen Gesetzlichen Unfallversicherung. Accessed April 25, 2026. [link ↗]
EtOH · NIST CAS lookup ↗
  1. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  2. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  3. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. https://doi.org/10.1002/9780470508183. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. https://doi.org/10.1016/B978-0-340-64578-9.X5000-9. [link ↗]
  5. IFA. n.d. "Ethanol." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Acetone · NIST CAS lookup ↗
  1. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
  5. IFA. n.d. "Acetone." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
DCM · NIST CAS lookup ↗
  1. National Institute of Standards and Technology. n.d. "Methane, dichloro- (CAS 75-09-2)." NIST Chemistry WebBook, SRD 69. Accessed April 25, 2026. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. International Agency for Research on Cancer. 1999. "Dichloromethane." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 71: 251–315. [link ↗]
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  5. IFA. n.d. "Dichloromethane." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
DMSO · NIST CAS lookup ↗
  1. Wypych, George. 2019. Handbook of Solvents. Volume 1: Properties. 3rd ed. Toronto: ChemTec Publishing. https://doi.org/10.1016/C2018-0-02235-3. [link ↗]
  2. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  3. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  4. National Institute of Standards and Technology. n.d. "Methane, sulfinylbis- (CAS 67-68-5)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  5. IFA. n.d. "Dimethyl sulfoxide." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
THF · NIST CAS lookup ↗
  1. Armarego, Wilfred L. F., and Christina Li Lin Chai. 2009. Purification of Laboratory Chemicals. 6th ed. Oxford: Butterworth-Heinemann. https://doi.org/10.1016/B978-1-85617-567-8.50003-3. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. National Institute of Standards and Technology. n.d. "Furan, tetrahydro- (CAS 109-99-9)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
  5. IFA. n.d. "Tetrahydrofuran." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Hexane · NIST CAS lookup ↗
  1. National Institute of Standards and Technology. n.d. "Hexane (CAS 110-54-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. [link ↗]
  4. Agency for Toxic Substances and Disease Registry. 1999. Toxicological Profile for n-Hexane. Atlanta, GA: U.S. Department of Health and Human Services. [link ↗]
  5. IFA. n.d. "n-Hexane." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
CHCl3 · NIST CAS lookup ↗
  1. International Agency for Research on Cancer. 1999. "Chloroform." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 73: 131–182. [link ↗]
  2. National Institute of Standards and Technology. n.d. "Methane, trichloro- (CAS 67-66-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  3. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  5. IFA. n.d. "Chloroform." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Solubility theory (applied in compatibility prediction):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + Ra formula.
  3. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  5. PubChem Compound Database — CAS 69-72-7 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

🛡️ Safety — CAS 69-72-7MolGod_SAFEHUB_MAIN
Data limitations notice. The safety information on this page is for reference only and does not replace a full safety data sheet (SDS). Before using the product, consult the manufacturer's current safety data sheet and the GHS/CLP guidance. The CLP classification applies to the pure bulk substance, not to commercial formulations.

GHS/CLP classification — Regulation (EC) No 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Danger
GHS05 — Corrosive
GHS05 Corrosive
GHS07 — Irritant / harmful
GHS07 Irritant / harmful
GHS08 — Health hazard
GHS08 Health hazard

🚨 Hazard statements (H)

  • H361d — Suspected of damaging the unborn child
  • H302 — Harmful if swallowed
  • H318 — Causes serious eye damage

🛡 Precautionary statements (P)

  • P203 — Obtain, read and follow all safety instructions before use
  • P264 — Wash thoroughly after handling

✓ Harmonised classification pursuant to Annex VI of the CLP Regulation (EC) 1272/2008 (official, binding classification). Index number: 607-732-00-5.

Reference (Chicago): European Chemicals Agency. "salicylic acid, Index No. 607-732-00-5." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress. Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Translations: CLP Regulation (EC) 1272/2008, Annexes III and IV. Data: PubChem/NLM.

📚 Consolidated scientific references — Chicago Author-Date 10 sources

References collected from all Safety Hub tabs. CAS: 69-72-7 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Regulations
  2. United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
  3. Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. Pierwsza pomoc, Toksykologia
  4. National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] Pierwsza pomoc, PPE, Toksykologia
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
  10. International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toksykologia

Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.

📈 Analytical statistics (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).

Separator: comma, space, tab, new line. Minimum 3 measurements.
📐 Statistical formulas
  • x̄ = Σxᵢ / n — arithmetic mean
  • s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
  • s = √s² — standard deviation
  • RSD% = (s / x̄) × 100% — relative standard deviation
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs' test
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Source: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Buffer Recipe Calculator UNIQUE
References: pKa values from Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

Choose a buffer from the list of 20 popular systems → enter the target pH → get an exact recipe with the masses to weigh out.

Step 1: Choose a buffer system

📜 Recipe history (last 10)
🔬 HPLC/GC methods (1 method)
📄
Impact of Extraction Parameters on the Gallic Acid Content and Antioxidant Properties of Palo Prieto (Lysiloma divaricata) Fractions and Their Identification via UPLC-MS/MS
HPLCAntioxidants202595% ✓CC-BYResearch method (specificity, robustness)
Column: C18, 1.7 μm
Phase: Mobile phase: 26:74 (acetonitrile/water pH 2
Detection: UV 750 nm
Flow: 0.25 mL/min
Temp.: 60.0 °C
Inj.: 25 μL
Gradient: of 3, 9, 16, 50, and 3% solvent B at…
HPLC Chromatogram💾 JCAMP📄 CSV
Gómez-Espinoza D, Gonzalez-Calderon J, Delgado-Alvarado E, Herrera-May A, García-González L, Aguirre-Mancilla C, et al. Impact of Extraction Parameters on the Gallic Acid Content and Antioxidant Properties of Palo Prieto (Lysiloma divaricata) Fractions and Their Identification via UPLC-MS/MS. Antioxidants. 2025;14:1074. doi:10.3390/antiox14091074
🔗 DOI🏠 PMC📚 PubMed📄 PDF
The palo prieto (Lysiloma divaricata) is a tree with grayish bark and pinnate leaves that is native to Mexico. This tree can reach heights close to 15 m and is a source of phytochemical compounds, including polyphenols. The optimized extraction method is important for preserving phytochemical compounds, particularly gallic acid. In general, solid-liquid extraction methods are the most commonly used methods for obtaining phytochemical compounds from Lysiloma divaricata. Herein, we report the results of a complex experimental design in which different parts of the plant (leaf, stem, and fruit) were used to investigate their antioxidant activities and gallic acid contents. In this design, we included variations in the type of solvent, time, and temperature. This method yields an extract rich in phytochemical components that may exhibit significant antioxidant activity, making it suitable for isolating natural antioxidant compounds. For these compounds, bromatological analysis, quantification of phenolic content, and identification and quantification of phytochemical compounds via UPLC-MS/MS identified 27 compounds, with gallic epicatechin, catechin, kaemferol-3-glucoside, procyanidin B1, and gallic acid as the major compounds. For the quantification of gallic acid by HPLC, the highest concentration of gallic acid was detected in the water-leaf-40 °C-90 min fraction. In addition, antioxidant activity via 1,1-diphenyl-1,2-picrylhydrazyl (DPPH), 2,2-azinobis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), and ferric reducing antioxidant power (FRAP) was studied, and color measurements were performed. Additionally, the antioxidant activity of the fruit samples was evaluated via the DPPH method with an ethanol/water ratio of 30:70 % v/v at 60 °C for 60 min, which resulted in the highest percentage of inhibition. There was no significant difference in the antioxidant activity when ABTS was used between the samples. For the antioxidant activity determined via FRAP, the leaf ...
antioxidant compoundsextraction methodsLysiloma divaricatagallic acidphenol compounds
📈 Method Validation (ICH Q2)

No validation data. Contact the method author.

Parameters per: ICH Q2(R2) ↗

🔧 Troubleshooting HPLC/GC
Broad peaks / tailing
Causes: Worn column, wrong mobile-phase pH, column overload, dead volume
Solution: Replace the column, check buffer pH (±0.2), reduce injection volume, check fittings
Baseline drift
Causes: Contaminated mobile phase, gradient issues, unstable temperature
Solution: Degas the phase, filter 0.22 µm, stabilise column temperature, flush the system
No peak
Causes: Wrong wavelength, analyte does not elute, thermal decomposition, wrong phase
Solution: Check λmax, extend the gradient, lower the temperature, change the mobile phase
Ghost peaks
Causes: System contamination, carry-over, contaminated vials
Solution: Clean the system (MeOH/H₂O), use new vials, inject a blank
Low recovery
Causes: Adsorption to walls, insufficient extraction, decomposition
Solution: Add IS, silanise glassware, optimise extraction, check stability

Sources: Snyder, Kirkland & Dolan ↗, Waters ↗

📊 HPLC method validation (ICH Q2(R1)) PARTIAL

3 metrics need experimental data

Parameter Value Unit ICH Q2 criterion Status
Linearity (R²) no data unitless R² ≥ 0.999 (≥0.99 for bioanalytical) —
LOD (S/N = 3:1) no data ng/mL S/N ≥ 3:1 (lowest detectable concentration) —
LOQ (S/N = 10:1) no data ng/mL S/N ≥ 10:1 (LOQ ≥ 3×LOD typically) —
Precision (RSD intraday, n=6) no data % RSD RSD ≤ 2% (intraday) / ≤ 3% (interday) for the API —
Accuracy (recovery, 3 levels) no data % (target 100±2%) Recovery 98-102% (target 100%) —
Linearity range no data e.g. 0.1-100 ng/mL Min. 80-120% of the nominal concentration —
Selectivity/Specificity no data qualitative No interference — analyte peak fully resolved (Rs ≥ 2.0) —
Robustness no data RSD < 2% at ±5% variation RSD < 2% under small parameter variations —
Legend: ✓ PASS ⚠ CAUTION ✗ FAIL — NO_DATA
📚 Scientific references (Chicago Author-Date) — click to expand

Analytical method validation standards — 4 independent sources (ICH + USP + AOAC + Snyder).

  1. International Conference on Harmonisation (ICH). 2005. Validation of Analytical Procedures: Text and Methodology Q2(R1). ICH Expert Working Group. [link ↗] — Gold-standard ICH guideline — accepted by EMA, FDA, MHLW, NMPA
  2. United States Pharmacopeia (USP) Convention. 2024. USP General Chapter <621> Chromatography. USP-NF 2024 ed. USP. [link ↗]
  3. AOAC International. 2016. Appendix F: Guidelines for Standard Method Performance Requirements. AOAC INTERNATIONAL. [link ↗] — AOAC SMPR — alternative to ICH Q2 for food/dietary supplements
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Industry standard textbook — Chapter 11 covers method validation
  5. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. Practical HPLC Method Development. 2nd ed. Wiley. ISBN 978-0-471-00703-6. — Classic method-development reference (DryLab heritage).
  6. Rozet, Eric, et al.. 2013. Analysis of recent pharmaceutical regulatory documents on analytical method validation. https://doi.org/10.1016/j.chroma.2007.03.111 [link ↗] — Comparison of FDA / EMA / ICH validation expectations — used for ICH Q2(R1) interpretation.
  7. Heyden, Yvan Vander, et al.. 2009. Robustness of pharmaceutical liquid chromatographic methods. https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗] — Plackett-Burman design for robustness — basis of ICH Q2 §3.7.
  8. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗] — Modern (UHPLC) update of validation chapter — practical RSD/LOD examples.
  9. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — European pharmacopeial perspective — complements USP/AOAC.
  10. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. HPLC for Pharmaceutical Scientists. Wiley-Interscience. ISBN 978-0-471-68162-4. https://doi.org/10.1002/9780470087954 [link ↗] — Pharma-focused validation case studies (specificity, robustness).
  11. European Medicines Agency (EMA). 2011. Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009. EMA Committee for Medicinal Products for Human Use. [link ↗] — EMA bioanalytical companion to ICH Q2(R1) for clinical samples.

· ⚠ SVHC/REACH regulatory warnings ↑

🔧 HPLC troubleshooting — decision tree 6 common problems

Diagnostics for the 12 most common HPLC problems with a decision tree (5 steps per problem). Source: Snyder/Kirkland/Dolan 3rd ed. Chapter 17 + LCGC LC Troubleshooting columns 1989-2024.

Broad peaks medium

Symptom: All peaks on the chromatogram are wider than expected (FWHM > 2× normal)

🔍 Diagnostic tree:
  1. 1. Check whether all peaks are broadened or only some
    → YES: All → instrumental problem (column or system)
    → NO: Only some → chemistry problem (interaction with the column for specific analytes)
  2. 2. Swap in a test column — does the problem disappear?
    → YES: COLUMN worn out — packing damaged, void in the first few mm. Replace it.
    → NO: Problem in the LC system
  3. 3. Check the dead volume — injection loop, connections, detector
    → YES: Loop > 100 µL for a 4.6 mm column or loose connections → replace ferrules, shorten tubing
    → NO: Continue diagnostics
  4. 4. Temperature test: raise the column from 25°C to 40°C
    → YES: Narrower peaks → mass-transfer kinetics too slow (increase T)
    → NO: Continue
  5. 5. Check flow rate vs the optimal van Deemter value for this column
    → YES: Optimum for 4.6mm/5µm = 1.0 mL/min, for 2.1mm/3µm = 0.4 mL/min
    → NO: Continue
⚠️ Common causes:
  • Column worn out (>2000 injections without a guard)
  • System dead volume > 100 µL (wrong loop, long tubing, loose ferrules)
  • Temperature too low (mass-transfer kinetics)
  • Flow rate outside the van Deemter optimum
  • Sample solvent stronger than mobile phase A
✓ Fixes:
  • ✓ Replace the column (when >2000 injections)
  • ✓ Check all connections — keep tubing as short as possible
  • ✓ Increase column T to 40°C (if the substance is stable)
  • ✓ Reduce flow to the van Deemter optimum
  • ✓ Dissolve the sample in mobile phase A (not in pure organic)
Peak tailing (T > 1.5) high

Symptom: Peaks have an extended "tail" on the late-elution side (asymmetry T = b/a > 1.5 per USP)

🔍 Diagnostic tree:
  1. 1. Does the substance contain basic groups (amino, pyridine)?
    → YES: Yes → silanol interactions! Add 0.1% TFA or 5-10 mM TEA to mobile phase A.
    → NO: Continue
  2. 2. Check the mobile-phase pH vs the substance pKa
    → YES: pH = pKa ± 1 → partial ionization, peak split. Move pH ≥ 2 units away from pKa.
    → NO: Continue
  3. 3. Check the column age (>1500 injections?)
    → YES: Yes → exposed silanols (column bleed). Replace with a column with higher endcapping (XTerra, Symmetry).
    → NO: Continue
  4. 4. Does the sample contain metals (Fe, Cu from glass vials)?
    → YES: Yes → use type II clear vials or PFA. Add 0.1mM EDTA to the sample.
    → NO: Continue
⚠️ Common causes:
  • Silanol interactions (basic analyte + silica gel free silanols)
  • pH at the boundary of the analyte pKa (peak split)
  • Old column (column bleed, high silanol activity)
  • Metals in the sample (chelation → tailing)
  • Column overload (>50 µg on a 4.6mm column)
✓ Fixes:
  • ✓ Add 0.1% TFA (UV) or 0.1% formic acid (LC-MS) to mobile phase A
  • ✓ Choose a column with high-purity endcapping: Waters XBridge BEH, Phenomenex Kinetex
  • ✓ Work at pH ≥ 2 units away from pKa
  • ✓ Add 0.1mM EDTA to the sample (Fe/Cu chelation)
  • ✓ Reduce the injection volume to ≤ 20 µL for a 4.6mm column
Baseline drift medium

Symptom: The baseline rises or falls systematically for >5 minutes

🔍 Diagnostic tree:
  1. 1. Are you running a gradient (B% increasing)?
    → YES: Yes → different absorption of phases A vs B at dλ. Solvent change in UV cutoff. Check the % organic UV absorbance.
    → NO: Continue (isocratic)
  2. 2. Check the column temperature — is it stable to ±0.5°C?
    → YES: Yes (stable) → continue
    → NO: Unstable → turn on the column thermostat (>25°C controlled)
  3. 3. Test: turn off the autosampler, run pump+column+detector alone
    → YES: Drift disappears → autosampler contamination (clean the needle, septum)
    → NO: Continue
  4. 4. Check the lamp age (D2 for UV)
    → YES: Yes (>1500 hours) → replace the lamp
    → NO: Continue
⚠️ Common causes:
  • Gradient elution with different UV cutoff of the phases
  • Unstable column T
  • Autosampler contamination of the needle/septum
  • Old UV lamp (>1500h)
  • Detector flow cell fouled
  • Column not equilibrated (<10 column volumes)
✓ Fixes:
  • ✓ Pre-equilibrate the column for 10-15 column volumes at 100% A
  • ✓ Column thermostat on, T 30-40°C stable
  • ✓ Clean the detector flow cell with 50:50 ACN:H2O
  • ✓ Replace the D2 lamp if >1500h
  • ✓ Use baseline subtraction (Chromeleon, Empower native function)
No peak / lost peak critical

Symptom: The expected analyte peak does not appear on the chromatogram

🔍 Diagnostic tree:
  1. 1. Did the injection actually take place?
    → YES: Check the autosampler log, pump pressure (should drop during injection)
    → NO: Autosampler problem → check the loop, needle, sample in the vial
  2. 2. Is the sample in the vial (correct volume, not evaporated)?
    → YES: Continue
    → NO: No sample — re-pipette
  3. 3. Sample stability — prepared >24h ago?
    → YES: Yes → degradation. Re-prepare a fresh sample.
    → NO: Continue
  4. 4. Check the detection wavelength vs the substance λmax
    → YES: Detection at λ does NOT match λmax → no signal. Scan DAD 200-400nm.
    → NO: Continue
  5. 5. Test: inject a pure standard (of known concentration, fresh)
    → YES: The standard gives a peak → problem with the sample (matrix, derivatization)
    → NO: No peak even with the standard → system problem (column, phase, gradient)
⚠️ Common causes:
  • Sample not drawn from the vial (autosampler bug)
  • Sample degraded (>24h pH/temp/light)
  • Detection at the wrong wavelength
  • Wrong mobile phase (e.g. forgotten TFA)
  • Column reversed / wrong stationary phase
  • Substance elutes at the front (V0) → unretained, not visible
✓ Fixes:
  • ✓ Re-prepare a fresh sample per the exact protocol
  • ✓ UV-Vis DAD scan 200-400nm + search for λmax
  • ✓ Check the mobile-phase composition — was TFA added?
  • ✓ Test the reverse column direction (carefully!)
  • ✓ For retention <1 min — lower the % B, MeOH instead of ACN
  • ✓ Check the "expected_rt" table in wp_molgod_hplc_methods
Pressure too high critical

Symptom: Pump pressure > 80% of the column max or system shutdown with a high-pressure error

🔍 Diagnostic tree:
  1. 1. Check that the column is connected correctly (arrow direction)
    → YES: OK
    → NO: Column reversed → flip it (never run it "backwards")
  2. 2. Test: remove the column from the system, run pump+detector alone
    → YES: Pressure drops to <50 bar → problem in the column (clogged)
    → NO: Pressure stays high → in-line filter clogged, frit fouled
  3. 3. Check the pre-column filter (in-line frit)
    → YES: Fouled and brown → replace it
    → NO: Continue
  4. 4. Back-flush the column with 50:50 ACN:H2O without the column — does it disappear?
    → YES: Particles stuck in the first mm — a 30 min flush may recover it
    → NO: Replace the column
⚠️ Common causes:
  • In-line filter (frit) clogged with particles
  • Buffer salting out (precipitation at high %B)
  • Sample contains suspended matter (filter 0.22 µm before injection)
  • Column clogged (column bed compaction)
  • Gradient with a buffer phase + high organic → salt precipitation
✓ Fixes:
  • ✓ ALWAYS filter the sample through 0.22 µm PVDF before injection
  • ✓ Replace the in-line filter every 100 injections (or when pressure rises >20%)
  • ✓ Do NOT use >20mM phosphate buffer + >70% ACN (the salt precipitates)
  • ✓ Flush the column for 30 min with 50:50 ACN:H2O in the reverse direction (when the manufacturer allows it)
  • ✓ Pre-column 4×3mm to protect the main column
Ghost peaks high

Symptom: Unexplained peaks on the chromatogram absent from the calibration

🔍 Diagnostic tree:
  1. 1. Test: blank injection (pure sample solvent)
    → YES: A ghost appears → contamination of the system or eluents
    → NO: Appears only with the sample → matrix
  2. 2. Does the ghost grow with the gradient (elutes at high %B)?
    → YES: Yes → overloaded column or strong-retained from a previous run
    → NO: Independent of the gradient → autosampler carryover
  3. 3. Increase carryover wash (between injections)
    → YES: Helps → carryover was to blame. Use a stronger wash protocol.
    → NO: Continue
  4. 4. Pure water injection — is there a peak?
    → YES: Yes → contamination of the water source (organics from the DI system)
    → NO: Continue
⚠️ Common causes:
  • Carryover in the autosampler needle/loop
  • Eluent contamination (even HPLC-grade)
  • Strong-retained components from previous runs
  • Plastic in the vials (phthalates, PEG from the caps)
  • Insufficiently purified DI water
✓ Fixes:
  • ✓ Strengthen the wash protocol: 100% B → 100% A → 50:50 (3 cycles)
  • ✓ Strong wash: 100% DMSO or 100% MeOH before calibration
  • ✓ Filter the eluents through 0.22 µm PTFE if in doubt
  • ✓ Use amber glass + Teflon-lined caps for samples
  • ✓ Periodic gradient ramp to 100% B for 10 min (clean-out)
📚 Scientific references (Chicago Author-Date) — click to expand
  1. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. John Wiley & Sons. Chapter 17 (Troubleshooting) pp. 559-616. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗]
  2. Dolan, John W.. 2014. LC Troubleshooting (monthly column 1989-2024). LCGC North America. [link ↗] — John Dolan 35-letnia seria miesięcznych artykułów problemowych
  3. Kromidas, Stavros. 2017. HPLC Made to Measure: A Practical Handbook for Optimization. 2nd ed. Wiley-VCH. ISBN 978-3-527-31377-1. — Praktyczny przewodnik problem-solving dla labs analitycznych
  4. Dolan, John W.. 2013. When to Modify Method Conditions. 192-199. [link ↗] — Decision flow for changing flow rate / temperature / %B vs swapping columns.
  5. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗] — Chapter 9 covers troubleshooting modern UHPLC systems (sub-2 µm particles).
  6. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — Solid step-by-step problem isolation chapter (eluents, columns, instruments).
  7. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. Practical HPLC Method Development. 2nd ed. Wiley. ISBN 978-0-471-00703-6. — Method-development companion volume with troubleshooting cross-refs.
  8. Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗] — Theoretical basis for diagnosing efficiency losses (mass-transfer, eddy diffusion).
  9. Heyden, Yvan Vander, et al.. 2009. Robustness of pharmaceutical liquid chromatographic methods. 2120-2129. https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗] — How to diagnose method failures vs. system failures (Plackett-Burman).
  10. Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5. — Historical context for ghost-peak phenomenology (silica chemistry).
  11. Stoll, Dwight R., and Peter W. Carr. 2017. Two-Dimensional Liquid Chromatography: A State of the Art Tutorial. 519-531. https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
  12. Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations. 1167-1182. https://doi.org/10.1002/jssc.200700026 [link ↗]
  14. Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. Probabilistic approach to peak deconvolution in chromatography. 8525-8531. https://doi.org/10.1021/ac101742z [link ↗]
🧪 Solubility and solvent compatibility MolGod_SOLUB_1
Molecule
Salicylic Acid
Formula
C7H6O3
logP
2.30
Mass (g/mol)
138.12
Polarity
Hydrophobic (non-polar)

⚠️ HSP estimate (literature / group contribution). Indicative data — does not replace experimental studies.

Solvent Compat. Ra Visual GC-MS HPLC Applications References
Water (H₂O)− Poor28.3
✗ NieA (aqueous) (RP)
buffercell cultureanalyticalhydrophilic extraction
Ethanol (EtOH)+ Good7.6
✗ NieA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)~ Avg.11.0
✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent do 205 nm
Acetone~ Avg.11.8
✗ NieB modifier (NP)
GC headspacecrystallizationdegreasingsynthesis
Acetonitrile (ACN)− Poor15.7
✗ NieB (RP) (RP)
HPLC eluent (gold standard)LC-MS (wolny cut-off UV 190 nm)peptide analysis
DMSO~ Avg.9.9
✗ NieN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THF~ Avg.9.8
✗ NieB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallic
DCM (CH₂Cl₂)~ Avg.10.4
✓ TakB (NP) (NP)
extractionNP-HPLCGC-MScrystallization (anti-solvent)
Chloroform (CHCl₃)~ Avg.12.0
✓ TakN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexane− Poor20.1
✓ TakA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluene− Poor15.9
✓ TakB (NP) (NP)
NMR (d8-toluene)synthesisDean-Stark azeotropic drying
📚 Scientific references for solvents (Chicago Author-Date) — click to expand

11 solvents × 5 independent scientific sources (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS). 55+ full citations below.

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Solubility theory (applied in compatibility prediction):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + Ra formula.
  3. Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  5. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  6. Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Complete tabular set of 250+ solvents (ε, μ, donicity, acceptor numbers).
  8. PubChem Compound Database — CAS 69-72-7 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

🧮 Laboratory calculators (8) MolGod_LABCALC_1
Dilution (C₁V₁=C₂V₂)
Molarity (M=n/V)
pH Buffer (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Mass → Moles
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Verified formulas: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopic Databases MolGod_SPECDB_3
📋 Laboratory protocol generator MolGod_PROTOCOL_1

Protocol generated based on: GHS SDS, Aldrich Lab Guide ↗

🏷️ Label generator (QR) MolGod_LABEL_1
Salicylic acid• salicylic acid / 2-Hydroxybenzoic acid• CAS: 69-72-7• Formula: C7H6O3• Mass: 138.12 g/molDANGERGHS HAZARD STATEMENTS:H302: Harmful if swallowedH318: Causes serious eye damageP203: Obtain, read and follow all safety instructions before useP264: Wash thoroughly after handlingDH ScientificScience first. Commerce as consequence.Batch No.: Netto Mass: MFG:
🧪 Solution preparation assistant (Smart Prep) MolGod_PREP_2

Enter what you want to prepare — I'll generate an SOP

Examples below — click to insert:
Preset recipes:
📚 Scientific literature overview — CAS 69-72-7MolGod_LITHUB_MAIN
⭐ Key findings (scientific literature) 20 publications
🏆 CAS 69-72-7 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    et al. (2026) · BMC Plant Biology
    Why it matters: Recent (2026) · open access
    SCORE 8.65 Mechanism Open Access DOI ↗ PubMed ↗
  2. #2
    S. Cockayne, Hicks, K, Kang'ombe, Arthur Ricky et al. (2011) · BMJ Publishing Group
    Why it matters: Open access
    SCORE 8.07 Pharmacology Citations: 68 Open Access DOI ↗
  3. #3
    et al. (2026) · Plants
    Why it matters: Recent (2026) · open access
    SCORE 7.95 Mechanism Citations: 1 Open Access DOI ↗ PubMed ↗
  4. #4
    et al. (2026) · BMC Plant Biology
    Why it matters: Recent (2026) · open access
    SCORE 7.95 Mechanism Citations: 1 Open Access DOI ↗ PubMed ↗
  5. #5
    et al. (2026) · Nature
    Why it matters: Recent (2026) · open access
    SCORE 7.95 Mechanism Citations: 1 Open Access DOI ↗ PubMed ↗
  6. #6
    et al. (2026) · Pharmaceuticals
    Why it matters: Recent (2026) · open access
    SCORE 7.85 Analytics Open Access DOI ↗ PubMed ↗
  7. #7
    et al. (2026) · BMC Plant Biology
    Why it matters: Recent (2026) · open access
    SCORE 7.15 Pharmacology Citations: 1 Open Access DOI ↗ PubMed ↗
  8. #8
    et al. (2026) · RSC Advances
    Why it matters: Recent (2026) · open access
    SCORE 7.15 Mechanism Citations: 1 Open Access DOI ↗ PubMed ↗
  9. #9
    Peng Y, Yang J, Li X et al. (2021) · Annual review of plant biology
    Why it matters: Review · open access
    SCORE 7.15 Review Open Access DOI ↗ PubMed ↗
  10. #10
    et al. (2026) · Frontiers in Plant Science
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Industrial Open Access DOI ↗ PubMed ↗
  11. #11
    Xianyu Tang, Peilin Chen, Silin Su et al. (2026) · Phytopathology Research
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗
  12. #12
    et al. (2026) · BMC Plant Biology
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Pharmacology Open Access DOI ↗ PubMed ↗
  13. #13
    et al. (2026) · Frontiers in Plant Science
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  14. #14
    Zhu B; Zhang Y; Gao R et al. (2025) · Nature
    Why it matters: Must-cite (canon) · recent (2025)
    SCORE 5.6 Industrial MUST-CITE DOI ↗
  15. #15
    Liu Y; Xu L; Wu M et al. (2025) · Nature
    Why it matters: Must-cite (canon) · recent (2025)
    SCORE 5.6 Industrial MUST-CITE DOI ↗
  16. #16
    Opinion on Salicylic Acid (CAS No. 69-72-7, EC No. 200-712-3) - Children’s exposure
    Scientific Committee on Consumer Safety (2025) · European Commission
    Why it matters: Recent (2025)
    SCORE 4 Mechanism
  17. #17
    Krantev, A., Popova, L. P., Yordanova, R. et al. (2013) · [Ismeretlen]
    Why it matters: Open access
    SCORE 3.95 Mechanism Open Access DOI ↗
  18. #18
    SCCS opinion on salicylic acid (CAS No. 69-72-7, EC No. 200-712-3) - SCCS/1646/22– Final Opinion
    Galli, C. L., Dusinska, M., Ezendam, J. et al. (2023) · CCSD
    Why it matters: Recent (2023)
    SCORE 3.9 Mechanism
  19. #19
    SCCS OPINION on salicylic acid (CAS No. 69-72-7, EC No. 200-712-3) - SCCS/1646/22 - Preliminary Opinion
    Galli, C. L., Dusinska, M., Ezendam, J. et al. (2022) · CCSD
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 3.6 Mechanism
  20. #20
    Galli, C. L., Granum, B., Dusinska, M. et al. (2019) · Publications Office of the European Union
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 2.7 Mechanism DOI ↗

Description

Kwas salicylowy (kwas 2-hydroksybenzoesowy), CAS 69-72-7, czysty odczynnik laboratoryjny. Wzor C7H6O3. Zastosowanie w syntezie, analityce, kosmetyce. Jakosc PREMIUM .

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📈 HPLC gradient — optimizer (LSS) TEMPLATE

Gradient based on PubChem XLogP3 + LSS (Snyder et al. 2010, ch. 9).

  • Column: C18
  • Buffer: phosphate
  • Flow: 1 mL/min
  • logP: 2.3 (PubChem XLogP3)
  • Ramp: 23% → 95% B, 15 min
  • Total analysis time: 28 min
t (min) %A %B flow (mL/min) Comment
0 77 23 1 start (equilibrium)
2 77 23 1 end of initial hold
17 5 95 1 end of LSS ramp
22 5 95 1 column wash
23 77 23 1 return to init
28 77 23 1 re-equilibration
📚 Scientific references (Chicago Author-Date)
  1. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
  4. Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
  7. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  8. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  14. Engelhardt, Heinz. 2014. 100 Years of Chromatography. Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531. [DOI ↗]

REST: /wp-json/molgod/v1/hplc/gradient/69-72-7

🌈 Detector + wavelength (UV/Vis) 296 nm
CompoundSalicylic acid
λmax296 nm
λmin230 nm
εmax (M⁻¹·cm⁻¹)4,000
Solvent (reference)methanol
Suggested λ296 nm
Recommended detectorUV
AlternativesPDA/DAD, MS, FLD

Data source: Skoog 2017

📚 Scientific references (Chicago Author-Date) 32 refs · 2 baz

METODA Method Bibliography

  1. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2017. "Principles of Instrumental Analysis." 7th ed. Cengage Learning. ISBN 978-1-305-57721-3.
  2. Perkampus, Heinz-Helmut. 1992. "UV-VIS Spectroscopy and Its Applications." Springer. ISBN 978-3-642-77479-9. →
  3. Sadek, Paul C.. 2002. "The HPLC Solvent Guide." 2nd ed. Wiley-Interscience. ISBN 978-0-471-41138-4.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. ISBN 978-0-470-16754-0. →
  5. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. →
  6. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.
  7. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 →
  8. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 →
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience. ISBN 978-0-471-68162-4. →
  10. Kim, Sunghwan, et al.. 2023. "PubChem 2023 update." Nucleic Acids Research 51: D1373-D1380 →
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 →
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 →
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182 →
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 →

MOLEKUŁA Per-CAS bibliography (live from 13+ databases)

Sources: db:europepmc (15)

  1. db:europepmc Bhar, A; Gupta, S; Banerjee, DB. 2026. "From signalling to resistance; delineating the multifaceted role of salicylic acid as the key modulator of biotic stress tolerance." Functional plant biology : FPB. https://doi.org/10.1071/fp25406. →
  2. db:europepmc Saleem, A; Ahmad, S; Khattak, SU; Jalil, H. 2026. "Temperature stress-induced production of salicylic acid from endophytic <i>Aspergillus flavus</i> with its <i>in silico</i> and <i>in vitro</i> anti-inflammatory potential and promising effect in combination with ibuprofen." Frontiers in microbiology. https://doi.org/10.3389/fmicb.2026.1777668. →
  3. db:europepmc Hornby, SB; Ly, YH; Obagi, ZA; Obagi, ZE. 2026. "A Novel Retinoid and Salicylic Acid Topical Treatment for Moderate-Severe Acne." Journal of drugs in dermatology : JDD. https://doi.org/10.36849/jdd.9390. →
  4. db:europepmc Khalil, WA; Ismail, AA; Hassan, MAE; El-Harairy, MA. 2026. "The Protective Role of Salicylic Acid-Conjugated Chitosan Nanoparticles Against Cryodamage in Buffalo Semen." Reproduction in domestic animals = Zuchthygiene. https://doi.org/10.1111/rda.70247. →
  5. db:europepmc Abdul Khaliq, A; Naeem, MS; Din, KU; Ahmad, M. 2026. "Ascorbic and salicylic acid regulate antioxidant defense and drought stress responses in maize." Plant signaling & behavior. https://doi.org/10.1080/15592324.2026.2664295. →
  6. db:europepmc Mohandas, M; Raj, GS; Suresh, T; Jayaprakash, V. 2026. "Combination therapy using Ciclopirox and Salicylic acid incorporated Chitosan lotion for onychomycosis treatment." International journal of biological macromolecules. https://doi.org/10.1016/j.ijbiomac.2026.152906. →
  7. db:europepmc Singh, U; Darshan, D; Singh, SN; Bhushan, A. 2026. "Combined application of hot water and salicylic acid treatment preserves postharvest quality of mangoes." Scientific reports. https://doi.org/10.1038/s41598-026-57333-4. →
  8. db:europepmc Al-Najar, F; Shahbazi, S; Reiisi, S; Saffar, B. 2026. "Salicylic acid attenuates paclitaxel-induced toxicity by modulating interleukin expression: an <i>in vivo</i> study." Drug and chemical toxicology. https://doi.org/10.1080/01480545.2025.2593476. →
  9. db:europepmc Safaiefar, P; Reiisi, S; Haghi, M; Shirian, S. 2026. "A PVA/chitosan/gelatin scaffold incorporating salicylic acid-loaded TiO₂ nanoparticles enhances collagen I expression and accelerates cutaneous wound repair in mice." Biotechnology progress. https://doi.org/10.1002/btpr.88500. →
  10. db:europepmc Jangra, M; Devi, S; Satpal, S; Ahlawat, YK. 2026. "Salicylic acid and silicon cross talk influence physiological and biochemical attributes of sorghum under salinity stress." Scientific reports. https://doi.org/10.1038/s41598-026-56646-8. →
  11. db:europepmc Mateo-Bonmatí, E. 2026. "A chromatin reader connects salicylic acid signaling to the RNA polymerase II gearbox in plants." Developmental cell. https://doi.org/10.1016/j.devcel.2026.04.009. →
  12. db:europepmc Lima, MRN; Nguyen, NQ; Safi, L; Gill, T. 2026. "Tailored dual release of retinol and salicylic acid from salicylate-based poly(anhydride-ester) microspheres with tunable degradation profiles." International journal of pharmaceutics. https://doi.org/10.1016/j.ijpharm.2026.126905. →
  13. db:europepmc Fu, J; Zhu, R; Li, X; Liu, X. 2026. "A Plasmodiophora Brassicae Effector PbCBM1 Promotes Clubroot Susceptibility by Competitively Binding to AtPHB3 to Disrupt Salicylic Acid Biosynthesis in Plants." Plant, cell & environment. https://doi.org/10.1111/pce.70638. →
  14. db:europepmc Api, AM; Bartlett, A; Belsito, D; Botelho, D. 2024. "RIFM fragrance ingredient safety assessment, 2-hydroxybenzoic acid, CAS Registry Number 69-72-7." Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2024.114944. →
  15. db:europepmc Sccs,; Panteri, E; ,; ,. 2019. "Opinion of the Scientific Committee on Consumer safety (SCCS) - Opinion on the safety of cosmetic ingredient salicylic acid (CAS 69-72-7)." Regulatory toxicology and pharmacology : RTP. https://doi.org/10.1016/j.yrtph.2019.05.001. →

REST: /wp-json/molgod/v1/hplc/detector/69-72-7

📐 HPLC peak symmetry calculator (USP Tf / As)

Calculate the USP tailing factor (Tf) and asymmetry (As) from the peak half-widths. Enter a (left half-width) and b (right half-width) measured at 5% or 10% of peak height.

📚 References (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. [link ↗] — Defines USP Tailing Factor T = (a+b)/(2a) measured at 5% peak height.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Tailing factor is a system suitability parameter (Section 6).
  3. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Original asymmetry factor As = b/a at 10% height (Foley & Dorsey 1983).
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2.4 — peak shape diagnostics and remedies.
  5. Dolan, John W.. 2003. "Peak tailing and resolution." LCGC North America 21: 610-614 [link ↗] — How tailing factor degrades effective resolution.
  6. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗] — Modern numerical deconvolution for asymmetric peaks.
  7. Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH. — Practical Tf and As thresholds for routine QC.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." Wiley. https://doi.org/10.1002/9781119313793 [link ↗]
  9. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." Wiley.
  10. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." Journal of Chromatography B 877: 2120-2129 https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗]
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182 https://doi.org/10.1002/jssc.200700026 [link ↗]
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗]
📊 Resolution and plate count calculator (Rs, N, H)

Calculate the resolution Rs, the number of theoretical plates N and HETP (H) for a pair of HPLC peaks. Enter the retention times, peak widths (at 50% or at the base) and the column length.

📚 References (Chicago Author-Date)
  1. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2 covers resolution, plate count and HETP fundamentals (Snyder et al. 2010).
  2. USP General Chapter <621>. 2024. "Chromatography." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines Rs >= 1.5 acceptance criterion and N calculation methods.
  3. Dolan, John W.. 2003. "How much resolution is enough?." LCGC North America 21: 350-353 [link ↗] — Practical guidance on Rs targets for routine method development.
  4. Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." Chemical Engineering Science 5: 271-289 https://doi.org/10.1016/0009-2509(56)80003-1 [link ↗] — Origin of N = 5.54·(tr/w0.5)² half-height plate count formulation.
  5. Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker. ISBN 978-0-8247-1357-7. — Resolution equation Rs = (1/4)·√N·(α-1)/α·k/(1+k) (master equation).
  6. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Skewed-peak corrections to apparent N.
  7. Knox, John H.. 1977. "Practical aspects of LC theory." Journal of Chromatographic Science 15: 352-364 https://doi.org/10.1093/chromsci/15.9.352 [link ↗]
  8. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  9. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗]
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182 https://doi.org/10.1002/jssc.200700026 [link ↗]
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗]

Related products

🧪 System Suitability — live calculator (USP <621>)

Enter data from 5–6 injections (areas, tR, tailing, plates) — the calculator computes %RSD and means and checks compliance with USP <621>. You can paste CSV (comma-separated) or edit individual values.

📚 References (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines RSD area < 2%, tailing < 2.0, N > 2000 acceptance criteria.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Section 5.4 — system suitability is part of method validation.
  3. US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. [link ↗] — CDER reviewer perspective on chromatographic validation expectations.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. — Chapter 2 — system suitability fundamentals (RSD, Tf, N).
  5. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." — Robustness vs. system suitability — design-of-experiments framework.
  6. Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation."
  7. European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. [link ↗] — EMA companion guideline with bioanalytical SS criteria.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. — UHPLC-specific suitability adjustments (n=5 vs. n=6).
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience.
  10. AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. [link ↗] — Alternative SS thresholds for food/dietary samples.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial."
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC."
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations."
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography."

Inne produkty z tej kategorii

⚗️ Jonizacja w funkcji pH (Henderson-Hasselbalch)MolGod_PHION_1

Typ: Kwas · pKa: 2.97

024681012140%50%100%% zjonizowany% niejonowypH
pH% jonowy% niejonowy
00.1 %99.9 %
29.7 %90.3 %
491.5 %8.5 %
699.9 %0.1 %
8100.0 %0.0 %
10100.0 %0.0 %
12100.0 %0.0 %
14100.0 %0.0 %
Źródła dla tej substancji (8)
  • CRC Handbook 91st ed.
    Lide, David R., ed. 2010. CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press.
  • CRC Handbook 105th ed.
    Haynes, William M., David R. Lide, and Thomas J. Bruno, eds. 2024. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton, FL: CRC Press.
  • NIST WebBook — link
    Linstrom, Peter J., and William G. Mallard, eds. 2024. NIST Chemistry WebBook. NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology.
  • PubChem CID 338 — link
    Kim, Sunghwan, Jie Chen, Tiejun Cheng, Asta Gindulyte, Jia He, Siqian He, Qingliang Li, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. PubChem CID 338.
  • DrugBank DB00936 — link
    Knox, Craig, Mike Wilson, Christen M. Klinger, Mark Franklin, Eponine Oler, Alex Wilson, Allison Pon, et al. 2024. "DrugBank 6.0: the DrugBank Knowledgebase for 2024." Nucleic Acids Research 52 (D1): D1265-D1275. DrugBank ID DB00936.
  • ChEMBL CHEMBL424 — link
    Zdrazil, Barbara, Eloy Felix, Fiona Hunter, Emma J. Manners, James Blackshaw, Sybilla Corbett, Marleen de Veij, et al. 2024. "The ChEMBL Database in 2023." Nucleic Acids Research 52 (D1): D1180-D1192. ChEMBL ID CHEMBL424.
  • IUPAC
    Serjeant, E. P., and Boyd Dempsey. 1979. Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. Oxford: Pergamon Press.
  • NIST
    Goldberg, Robert N., Nand Kishore, and Rebecca Lennen. 2002. "Thermodynamic Quantities for the Ionization Reactions of Buffers." Journal of Physical and Chemical Reference Data 31 (2): 231-370.
Bibliografia metody (Chicago)
  • Henderson, L. J. 1908. "Concerning the Relationship between the Strength of Acids and Their Capacity to Preserve Neutrality." American Journal of Physiology 21 (4): 173-179.
  • Hasselbalch, K. A. 1917. "Die Berechnung der Wasserstoffzahl des Blutes aus der freien und gebundenen Kohlensäure desselben." Biochemische Zeitschrift 78: 112-144.
  • Po, Henry N., and N. M. Senozan. 2001. "The Henderson-Hasselbalch Equation: Its History and Limitations." Journal of Chemical Education 78 (11): 1499-1503.
  • Avdeef, Alex. 2012. "Absorption and Drug Development: Solubility, Permeability, and Charge State." 2nd ed. Wiley.
  • Avdeef, Alex. 2007. "Solubility of sparingly-soluble ionizable drugs." Advanced Drug Delivery Reviews 59 (7): 568-590.
  • Volgyi, Gergely, et al. 2007. "Potentiometric and spectrophotometric pKa determination of water-insoluble compounds." Analytica Chimica Acta 583 (2): 418-428.
  • Fini, Adamo, Giuseppe Fazio, and Giuseppina Feroci. 1997. "Solubility and solubilization properties of non-steroidal anti-inflammatory drugs." Pharmaceutica Acta Helvetiae 70 (4): 305-318.
  • Mauger, John W., Anthony N. Paruta, and Robert J. Gerraughty. 1972. "Solubilities of sulfadiazine, sulfisomidine, and sulfadimethoxine." Journal of Pharmaceutical Sciences 61 (1): 94-97.
  • Lyman, Warren J., William F. Reehl, and David H. Rosenblatt. 1990. "Handbook of Chemical Property Estimation Methods." American Chemical Society.
  • Marcus, Yizhak. 1998. "The Properties of Solvents." Wiley.
  • Serjeant, E. P., and Boyd Dempsey. 1979. Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. Oxford: Pergamon Press.
  • Perrin, Douglas D. 1965. Dissociation Constants of Organic Bases in Aqueous Solution. IUPAC. London: Butterworths.
  • Goldberg, Robert N., Nand Kishore, and Rebecca Lennen. 2002. "Thermodynamic Quantities for the Ionization Reactions of Buffers." Journal of Physical and Chemical Reference Data 31 (2): 231-370.
  • Haynes, William M., David R. Lide, and Thomas J. Bruno, eds. 2024. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton, FL: CRC Press.
  • Lide, David R., ed. 2010. CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press.
  • Kim, Sunghwan, Jie Chen, Tiejun Cheng, Asta Gindulyte, Jia He, Siqian He, Qingliang Li, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380.
  • Knox, Craig, Mike Wilson, Christen M. Klinger, Mark Franklin, Eponine Oler, Alex Wilson, Allison Pon, et al. 2024. "DrugBank 6.0: the DrugBank Knowledgebase for 2024." Nucleic Acids Research 52 (D1): D1265-D1275.
  • Zdrazil, Barbara, Eloy Felix, Fiona Hunter, Emma J. Manners, James Blackshaw, Sybilla Corbett, Marleen de Veij, et al. 2024. "The ChEMBL Database in 2023." Nucleic Acids Research 52 (D1): D1180-D1192.
  • Kanehisa, Minoru, Miho Furumichi, Yoko Sato, Masayuki Kawashima, and Mari Ishiguro-Watanabe. 2023. "KEGG for taxonomy-based analysis of pathways and genomes." Nucleic Acids Research 51 (D1): D587-D592.
  • Linstrom, Peter J., and William G. Mallard, eds. 2024. NIST Chemistry WebBook. NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology.
  • Nelson, David L., and Michael M. Cox. 2017. Lehninger Principles of Biochemistry. 7th ed. New York: W. H. Freeman.
📈 UV-VIS spectrum predictor (200-400 nm) λmax 296 nm MolGod_UVVIS_1
0%25%50%75%100%200250300350400296 nmA = ε·c·lA / Aₘₐₓ (%)
CompoundSalicylic acid
λmax296 nm
λmin230 nm
εmax (M⁻¹·cm⁻¹)4,000
Solvent (query)water
Solvent (reference)methanol
Concentration (M)1e-4
Path length (cm)1
Curve FWHM80 nm

Model: Gaussian curve centered at λmax, scaled with the Beer-Lambert law A = ε · c · l. Transmittance T = 10^(-A) · 100%.

📚 Scientific references (Chicago Author-Date)
  1. Bhar, A; Gupta, S; Banerjee, DB. 2026. "From signalling to resistance; delineating the multifaceted role of salicylic acid as the key modulator of biotic stress tolerance." Functional plant biology : FPB. https://doi.org/10.1071/fp25406. [DOI]
  2. Saleem, A; Ahmad, S; Khattak, SU; Jalil, H. 2026. "Temperature stress-induced production of salicylic acid from endophytic <i>Aspergillus flavus</i> with its <i>in silico</i> and <i>in vitro</i> anti-inflammatory potential and promising effect in combination with ibuprofen." Frontiers in microbiology. https://doi.org/10.3389/fmicb.2026.1777668. [DOI]
  3. Hornby, SB; Ly, YH; Obagi, ZA; Obagi, ZE. 2026. "A Novel Retinoid and Salicylic Acid Topical Treatment for Moderate-Severe Acne." Journal of drugs in dermatology : JDD. https://doi.org/10.36849/jdd.9390. [DOI]
  4. Khalil, WA; Ismail, AA; Hassan, MAE; El-Harairy, MA. 2026. "The Protective Role of Salicylic Acid-Conjugated Chitosan Nanoparticles Against Cryodamage in Buffalo Semen." Reproduction in domestic animals = Zuchthygiene. https://doi.org/10.1111/rda.70247. [DOI]
  5. Abdul Khaliq, A; Naeem, MS; Din, KU; Ahmad, M. 2026. "Ascorbic and salicylic acid regulate antioxidant defense and drought stress responses in maize." Plant signaling & behavior. https://doi.org/10.1080/15592324.2026.2664295. [DOI]
  6. Mohandas, M; Raj, GS; Suresh, T; Jayaprakash, V. 2026. "Combination therapy using Ciclopirox and Salicylic acid incorporated Chitosan lotion for onychomycosis treatment." International journal of biological macromolecules. https://doi.org/10.1016/j.ijbiomac.2026.152906. [DOI]
  7. Singh, U; Darshan, D; Singh, SN; Bhushan, A. 2026. "Combined application of hot water and salicylic acid treatment preserves postharvest quality of mangoes." Scientific reports. https://doi.org/10.1038/s41598-026-57333-4. [DOI]
  8. Al-Najar, F; Shahbazi, S; Reiisi, S; Saffar, B. 2026. "Salicylic acid attenuates paclitaxel-induced toxicity by modulating interleukin expression: an <i>in vivo</i> study." Drug and chemical toxicology. https://doi.org/10.1080/01480545.2025.2593476. [DOI]
  9. Safaiefar, P; Reiisi, S; Haghi, M; Shirian, S. 2026. "A PVA/chitosan/gelatin scaffold incorporating salicylic acid-loaded TiO₂ nanoparticles enhances collagen I expression and accelerates cutaneous wound repair in mice." Biotechnology progress. https://doi.org/10.1002/btpr.88500. [DOI]
  10. Jangra, M; Devi, S; Satpal, S; Ahlawat, YK. 2026. "Salicylic acid and silicon cross talk influence physiological and biochemical attributes of sorghum under salinity stress." Scientific reports. https://doi.org/10.1038/s41598-026-56646-8. [DOI]
  11. Mateo-Bonmatí, E. 2026. "A chromatin reader connects salicylic acid signaling to the RNA polymerase II gearbox in plants." Developmental cell. https://doi.org/10.1016/j.devcel.2026.04.009. [DOI]
  12. Lima, MRN; Nguyen, NQ; Safi, L; Gill, T. 2026. "Tailored dual release of retinol and salicylic acid from salicylate-based poly(anhydride-ester) microspheres with tunable degradation profiles." International journal of pharmaceutics. https://doi.org/10.1016/j.ijpharm.2026.126905. [DOI]
  13. Fu, J; Zhu, R; Li, X; Liu, X. 2026. "A Plasmodiophora Brassicae Effector PbCBM1 Promotes Clubroot Susceptibility by Competitively Binding to AtPHB3 to Disrupt Salicylic Acid Biosynthesis in Plants." Plant, cell & environment. https://doi.org/10.1111/pce.70638. [DOI]
  14. Api, AM; Bartlett, A; Belsito, D; Botelho, D. 2024. "RIFM fragrance ingredient safety assessment, 2-hydroxybenzoic acid, CAS Registry Number 69-72-7." Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2024.114944. [DOI]
  15. Sccs,; Panteri, E; ,; ,. 2019. "Opinion of the Scientific Committee on Consumer safety (SCCS) - Opinion on the safety of cosmetic ingredient salicylic acid (CAS 69-72-7)." Regulatory toxicology and pharmacology : RTP. https://doi.org/10.1016/j.yrtph.2019.05.001. [DOI]
  16. Linstrom, Peter J., and William G. Mallard, eds. 2023. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. [DOI]
  17. Mayerhöfer, Thomas G., Samir Pahlow, and Jürgen Popp. 2020. "The Bouguer-Beer-Lambert Law: Shining Light on the Obscure." ChemPhysChem 21 (18): 2029-2046. [DOI]
  18. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2017. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning. ISBN 978-1-305-57721-3.
  19. Lindon, John C., George E. Tranter, and David W. Koppenaal, eds. 2017. "Encyclopedia of Spectroscopy and Spectrometry." 3rd ed. Amsterdam: Academic Press. ISBN 978-0-12-803224-4.
  20. Field, Leslie D., Sev Sternhell, and John R. Kalman. 2013. "Organic Structures from Spectra." 5th ed. Chichester: Wiley. ISBN 978-1-119-96582-6.
  21. Reusch, William. 2013. "Virtual Textbook of Organic Chemistry: Spectroscopy." East Lansing, MI: Michigan State University.
  22. Lampman, Gary M., Donald L. Pavia, George S. Kriz, and James R. Vyvyan. 2010. "Spectroscopy." 4th ed. Belmont, CA: Cengage Learning. ISBN 978-0-495-88992-9.
  23. Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International. ISBN 978-81-224-2032-9.
  24. Williams, Dudley H., and Ian Fleming. 2008. "Spectroscopic Methods in Organic Chemistry." 6th ed. London: McGraw-Hill. ISBN 978-0-07-711559-0.
  25. Sadek, Paul C. 2002. The HPLC Solvent Guide. 2nd ed. Hoboken: Wiley. ISBN 978-0-471-41242-2.
  26. Banwell, Colin N., and Elaine M. McCash. 1994. "Fundamentals of Molecular Spectroscopy." 4th ed. London: McGraw-Hill. ISBN 978-0-07-707976-1.
  27. Perkampus, Heinz-Helmut. 1992. UV-VIS Spectroscopy and Its Applications. Berlin: Springer. https://doi.org/10.1007/978-3-642-77479-9.
  28. Fieser, Louis F. 1949. "Extension of Woodward's Rules for Prediction of Conjugated Diene Absorption." Journal of the American Chemical Society 71 (5): 1854-1857. [DOI]
  29. Woodward, Robert B. 1942. "Structure and the Absorption Spectra of Alpha,Beta-Unsaturated Ketones." Journal of the American Chemical Society 64 (1): 72-75. [DOI]
  30. Beer, August. 1852. "Bestimmung der Absorption des rothen Lichts in farbigen Flüssigkeiten." Annalen der Physik und Chemie 86: 78-88. https://doi.org/10.1002/andp.18521620505.
  31. Lambert, Johann Heinrich. 1760. Photometria. Augsburg: Sumptibus Vidae.
🔍 Confirmation by independent sources SINGLE λmax = 303 nm (1 sources, ±5 nm)
  • 🗃️ database Kim, Sunghwan, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. https://doi.org/10.1093/nar/gkac956. UV spectrum data for CAS 69-72-7 sourced from Hazardous Substances Data Bank (HSDB). PubChem CID: 338. Accessed 2026. λ=303 nm
  • 🔬 peer-reviewed Anonymous. 2025. "Development and Validation of a UV Spectrophotometric Absorbance Correction Method for the Simultaneous Estimation of Salicylic Acid and Niacinamide in bulk and liquid dosage form." Journal of Carcinogenesis. https://doi.org/10.64149/j.carcinog.24.1s.36-40. [DOI]
  • 🔬 peer-reviewed Chintia D, Resca S.S., Anggra I.N.A. 2024. "Analysis of Salicylic Acid in Biological Fluids (Serosal) Using Uv-Vis Spectrophotometry." Strada Journal of Pharmacy 6 (1): 104-108. https://doi.org/10.30994/sjp.v6i1.163. [DOI]

REST: /wp-json/molgod/v1/spectra/uv-vis/69-72-7?solvent=water&path_length_cm=1

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📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 108 items

All scientific sources cited in the accordions above for CAS 69-72-7. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Scientific databases

  1. NIST. 2026. NIST Chemistry WebBook: CAS 69-72-7. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=69-72-7. (Accessed 2026-11-12.)
  2. AIST. 2026. Spectral Database for Organic Compounds (SDBS): CAS 69-72-7. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/. (Accessed 2026-11-12.)
  3. PubChem. 2026. PubChem Compound Summary: CAS 69-72-7. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=69-72-7. (Accessed 2026-11-12.)
  4. ECHA. 2026. C&L Inventory and REACH Registration: CAS 69-72-7. Helsinki: European Chemicals Agency. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp. (Accessed 2026-11-12.)

📐 Standards / Guidelines

  1. ICH. 2026. "ICH Harmonised Guideline: CAS 69-72-7." Geneva: International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf. (Accessed 2026-11-12.)
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Books

  1. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
  2. Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
  3. Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📘 Monographs

  1. IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 69-72-7. Lyon, France: International Agency for Research on Cancer, World Health Organization. (Accessed 2026-11-12.)

📄 Scientific articles (peer-reviewed)

  1. Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
  2. Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

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