Substancja techniczna spełniająca normy jakości przemysłowej.
🔒 Modalità demo — questo articolo non è in vendita.
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Fonti dei dati:
PubChem, NIST Chemistry WebBook, CRC Handbook of Chemistry and Physics (103rd ed.)
Ultimo aggiornamento: 2026-04-27
Stato normativo della sostanza
Nessuna voce per questo CAS negli elenchi di restrizioni consultati (lista di candidati SVHC, REACH Allegato XVII; insiemi di dati incompleti - questa non è una conferma di conformità). Classificazione CLP e stato di trasporto (ADR): vedere la sezione GHS e la scheda di dati di sicurezza (SDS).
📊Banche dati di spettri spettroscopici — dati inline9 sourcesMolGod_SPECDB_2
Gli spettri vengono recuperati su richiesta da 9 fonti. Ogni spettro viene salvato nel nostro database — l'apertura successiva = zero richieste all'API esterna. Scarica JCAMP-DX / CSV / PNG per ogni spettro senza dover cercare.
Dati recuperati tramite MolGod_Spectra_Remote_Fetcher (parser JCAMP-DX) e salvati nella tabella wp_molgod_spectra_cache. Zero download duplicati, zero richieste a NIST alle aperture successive. Licenze rispettate (viene pubblicato solo il deep-link + la nostra visualizzazione).
Dati recuperati in tempo reale da più fonti (priority-chain). JCAMP-DX / CSV / PNG disponibili per il download sotto ogni spettro.
IR — infrarosso in trasformata di Fourier
Caricamento IR — infrarosso in trasformata di Fourier…
MS — spettrometria di massa (EI 70eV)
Caricamento MS — spettrometria di massa (EI 70eV)…
🔎 Ricerca per spettro (JCAMP-DX)
Carica un file JCAMP-DX (.jdx, .dx, .jcm) — il sistema calcolerà la similarità del coseno rispetto a tutti gli spettri nel database e mostrerà le TOP 10 corrispondenze.
📚 Bibliography (Chicago)
McLafferty, Fred W., ed. 2018. Wiley Registry of Mass Spectral Data. 11th ed. Hoboken, NJ: Wiley. Una libreria MS di riferimento (~775k spettri).
Stein, Stephen E., and Donald R. Scott. 1994. "Optimization and Testing of Mass Spectral Library Search Algorithms for Compound Identification." Journal of the American Society for Mass Spectrometry 5 (9): 859–866. L'algoritmo cosine + dot-product di NIST MS Search.
McDonald, Robert S., and Paul A. Wilks Jr. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. La specifica JCAMP-DX (estesa alla 5.01 per NMR/MS).
McLafferty, Fred W., and František Tureček. 1993. "Interpretation of Mass Spectra." 4th ed. Mill Valley, CA: University Science Books. Matching per similarità coseno e frammentazione MS — la base dell'algoritmo di ricerca.
Sumner, Lloyd W., Alexander Amberg, Dave Barrett, Michael H. Beale, Richard Beger, Clare A. Daykin, Teresa W.-M. Fan, et al. 2007. "Proposed Minimum Reporting Standards for Chemical Analysis." Metabolomics 3 (3): 211–221. MSI Level 1-4 — standard del livello di confidenza della corrispondenza spettrale.
Stein, Stephen E. 1999. "An Integrated Method for Spectrum Extraction and Compound Identification from Gas Chromatography/Mass Spectrometry Data." Journal of the American Society for Mass Spectrometry 10 (8): 770–781. L'algoritmo AMDIS — deconvoluzione + library match (NIST).
Lindon, John C., George E. Tranter, and David W. Koppenaal, eds. 2017. "Encyclopedia of Spectroscopy and Spectrometry." 3rd ed. Amsterdam: Academic Press. Voci enciclopediche sullo spectral library searching.
Smith, Brian C. 2011. "Fundamentals of Fourier Transform Infrared Spectroscopy." 2nd ed. Boca Raton, FL: CRC Press. FT-IR e il formato JCAMP-DX per gli spettri di trasmissione.
Larkin, Peter. 2017. "Infrared and Raman Spectroscopy: Principles and Spectral Interpretation." 2nd ed. Amsterdam: Elsevier. Principi del library matching IR/Raman e del preprocessing dei picchi.
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. ↗
National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
Yaws, Carl L. 2014. The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals. 2nd ed. Oxford: Gulf Professional Publishing.
PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
Marrero, J., and R. Gani. 2001. "Group-Contribution Based Estimation of Pure Component Properties." Fluid Phase Equilibria 183–184: 183–208. ↗
Joback, K. G., and R. C. Reid. 1987. "Estimation of Pure-Component Properties from Group-Contributions." Chemical Engineering Communications 57 (1–6): 233–243. ↗
Sangster, J. 1997. Octanol-Water Partition Coefficients: Fundamentals and Physical Chemistry. Chichester: Wiley. ISBN 978-0-471-97397-3.
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. ↗
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.
Constantinou, Leonidas, and Rafiqul Gani. 1994. "New Group Contribution Method for Estimating Properties of Pure Compounds." AIChE Journal 40 (10): 1697–1710. ↗
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. ↗
🔄 Convertitore di unità di concentrazione LIVEMolGod_UNITCONV_1
Inserisci la concentrazione (2S,4R)-Pentane-1,2,3,4,5-Pentol in qualsiasi unità — il resto verrà calcolato automaticamente.
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 ↔ molarity
c (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 ↔ molarity
c (mol/L) = mmol/L × 10⁻³
Exact
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)
Celsius ↔ Kelvin
T(K) = t(°C) + 273.15
±0.01 K (ITS-90 scale)
BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ Fahrenheit
T(°F) = T(°C) × 9/5 + 32
±0.1 °F
Thompson A, Taylor BN (2008)
density-corrected % ↔ molarity
c (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL
±0.1% when ρ known to 3 decimals
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)
📚 Bibliografia (8 fonti autorevoli)
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
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
BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗ → International SI definitions (incl. redefined kilogram 2019)
ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗ → General rules for physical quantities and units
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
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)
IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook → Definitions of mass fraction, molality, normality, ppm, activity
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
🧪 Procedura guidata di preparazione della soluzione WIZARDMolGod_PREP_1
Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
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 ↗]
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 ↗]
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 ↗]
IFA. n.d. "Water." GESTIS Substance Database. Institut für Arbeitsschutz der Deutschen Gesetzlichen Unfallversicherung. Accessed April 25, 2026. [link ↗]
Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
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 ↗]
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 ↗]
Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. https://doi.org/10.1016/B978-0-340-64578-9.X5000-9. [link ↗]
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 ↗]
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
National Institute of Standards and Technology. n.d. "Methane, dichloro- (CAS 75-09-2)." NIST Chemistry WebBook, SRD 69. Accessed April 25, 2026. [link ↗]
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
International Agency for Research on Cancer. 1999. "Dichloromethane." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 71: 251–315. [link ↗]
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
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 ↗]
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
National Institute of Standards and Technology. n.d. "Furan, tetrahydro- (CAS 109-99-9)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
National Institute of Standards and Technology. n.d. "Hexane (CAS 110-54-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. [link ↗]
Agency for Toxic Substances and Disease Registry. 1999. Toxicological Profile for n-Hexane. Atlanta, GA: U.S. Department of Health and Human Services. [link ↗]
International Agency for Research on Cancer. 1999. "Chloroform." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 73: 131–182. [link ↗]
National Institute of Standards and Technology. n.d. "Methane, trichloro- (CAS 67-66-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
Teoria della solubilità (applicata nella previsione della compatibilità):
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).
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834 — Tripletta HSP (dD, dP, dH) + formula Ra.
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.
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.
PubChem Compound Database — CAS 87-99-0 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.
Bibliografia completa nell'accordion RIFERIMENTI (in fondo alla pagina) — Chicago Manual of Style 17th ed., Author-Date.
🛡️ Sicurezza — CAS 87-99-0MolGod_SAFEHUB_MAIN
Avviso sulle limitazioni dei dati. Le informazioni sulla sicurezza contenute in questa pagina hanno carattere informativo e non sostituiscono la scheda di dati di sicurezza (SDS) completa. Prima di utilizzare il prodotto, consultare la scheda di dati di sicurezza aggiornata del produttore e le linee guida GHS/CLP. La classificazione CLP riguarda la sostanza pura bulk, non i preparati commerciali.
Nessuna classificazione GHS armonizzata per questa sostanza — vedere la scheda di dati di sicurezza (SDS) aggiornata del fornitore.
☢️ Dati tossicologici (IARC + EPA CTX)
📖 Sintesi tossicologica
Ksylitol (CAS 87-99-0) jest pięciowęglowym alkoholem cukrowym (pentitol) naturalnie obecnym w korze brzozowej, śliwkach i truskawkach. Ostra toksyczność doustna u człowieka — skrajnie niska. LD50 doustnie u szczura wynosi ~22 000 mg/kg masy ciała wg danych JECFA i ECHA [1,2]; cross-referencja [1,2]; substancja klasy 5 Hodge'a i Sternera. IARC nie zaklasyfikowała ksylitolu [3]; brak CMR w Aneksie VI CLP [2]. JECFA (FAO/WHO) ustanowiło ADI = "not specified" (NS) — brak ograniczenia dziennego spożycia, potwierdzając pełne bezpieczeństwo przy dawkach żywieniowych [1]. Substancja dopuszczona jako E967 w UE (Rozporządzenie WE 1333/2008) i GRAS w USA (FDA 21 CFR 172.395). Badania kliniczne (Cochrane 2015, 10 RCT) potwierdzają działanie przeciwpróchnicze przy 5–10 g/dobę poprzez hamowanie wzrostu Streptococcus mutans [4]. WAŻNE — toksyczność dla psów: ksylitol jest wysoce toksyczny dla psów — dawka 0,1 g/kg mc. wywołuje hipoglikemię i uszkodzenie wątroby poprzez stymulację wydzielania insuliny (mechanizm nieobecny u ludzi); LD50 u psów ≈ 0,5 g/kg mc. [5]. Produkt należy przechowywać poza zasięgiem zwierząt domowych.
🔖 Citazioni delle fonti (5) — Chicago Notes-Bibliography
Joint FAO/WHO Expert Committee on Food Additives (JECFA). 1983. "Xylitol." In WHO Food Additives Series No. 18. Geneva: WHO. https://www.who.int/groups/joint-fao-who-expert-committee-on-food-additives-jecfa/areas-of-work/chemical-risk-assessment. [ADI = "not specified"; LD50 oral rat ≈ 22 000 mg/kg.]
International Agency for Research on Cancer (IARC). 2025. "List of Classifications." Lyon: IARC/WHO. https://monographs.iarc.who.int/list-of-classifications/. [CAS 87-99-0 nie sklasyfikowany.]
Riley, Philip, Kunal Lamont, and Naomi Hart. 2015. "Xylitol-Containing Products for Preventing Dental Caries in Children and Adults." Cochrane Database of Systematic Reviews 3:CD010743. DOI: 10.1002/14651858.CD010743.pub2. [Peer-reviewed; open-access.]
Murphy, Lisa A., and Ashley E. Coleman. 2012. "Xylitol Toxicosis in Dogs." Veterinary Clinics of North America: Small Animal Practice 42(2):307–312. DOI: 10.1016/j.cvsm.2011.12.003. [Peer-reviewed; LD50 canine ≈ 0,5 g/kg; mechanizm insulinowy.]
Formato: Chicago Notes-Bibliography (numbered). [n,m] = riferimento incrociato: entrambe le fonti confermano indipendentemente lo stesso valore. DOI-link = studi scientifici sottoposti a revisione paritaria. RESTRICTED = accesso tramite biblioteca scientifica.
Nessuna voce IARC individuale per questo CAS
Nessuna monografia IARC separata negli elenchi verificati — questo NON è una conferma dell'assenza di cancerogenicità. Verificare la classificazione CLP/GHS (sezione CMR / GHS).
🔬 Limiti di esposizione professionale (PubChem × NIOSH/OSHA)
La numerazione [n] corrisponde alle note in apice nel testo sopra riportato. [n,m] = riferimento incrociato: entrambe le fonti confermano indipendentemente lo stesso valore.
Joint FAO/WHO Expert Committee on Food Additives (JECFA). 1983. "Xylitol." In WHO Food Additives Series No. 18. Geneva: WHO. https://www.who.int/groups/joint-fao-who-expert-committee-on-food-additives-jecfa/areas-of-work/chemical-risk-assessment. [ADI = "not specified"; LD50 oral rat ≈ 22 000 mg/kg.] 🔗
International Agency for Research on Cancer (IARC). 2025. "List of Classifications." Lyon: IARC/WHO. https://monographs.iarc.who.int/list-of-classifications/. [CAS 87-99-0 nie sklasyfikowany.] 🔗
Riley, Philip, Kunal Lamont, and Naomi Hart. 2015. "Xylitol-Containing Products for Preventing Dental Caries in Children and Adults." Cochrane Database of Systematic Reviews 3:CD010743. DOI: 10.1002/14651858.CD010743.pub2. [Peer-reviewed; open-access.] [DOI]
Murphy, Lisa A., and Ashley E. Coleman. 2012. "Xylitol Toxicosis in Dogs." Veterinary Clinics of North America: Small Animal Practice 42(2):307–312. DOI: 10.1016/j.cvsm.2011.12.003. [Peer-reviewed; LD50 canine ≈ 0,5 g/kg; mechanizm insulinowy.] [DOI]
📖 Letteratura tossicologica generale (modulo)
International Agency for Research on Cancer (IARC). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans." Lyon: IARC. 🔗
U.S. EPA. 2024. "ECOTOX Knowledgebase." Washington, DC: U.S. Environmental Protection Agency. 🔗
ECHA. 2024. "Chemical Safety Assessment." European Chemicals Agency. 🔗
U.S. National Toxicology Program. 2024. Report on Carcinogens. 15th ed. Research Triangle Park, NC: National Institute of Environmental Health Sciences. 🔗
GESTIS. 2024. "GESTIS Substance Database." Institute for Occupational Safety and Health of the German Social Accident Insurance (DGUV). 🔗
U.S. EPA. 2024. "CompTox Chemicals Dashboard." Washington, DC: U.S. Environmental Protection Agency. 🔗
ECHA. 2023. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP), Annex VI — Harmonised Classification." European Chemicals Agency. 🔗
Leist, Marcel, et al. 2014. "Consensus Report on the Future of Animal-Free Systemic Toxicity Testing." ALTEX 31 (3): 341–356. [DOI]
Hartung, Thomas. 2009. "Toxicology for the Twenty-First Century." Nature 460 (7252): 208–212. [DOI]
Lenga, Robert E., ed. 2008. The Sigma-Aldrich Library of Chemical Safety Data. 2nd ed. Milwaukee: Sigma-Aldrich.
Slikker, William Jr., et al. 2004. "Dose-Dependent Terminal and Tissue Residues After Chronic Exposure." Toxicological Sciences 81 (2): 253–279. [DOI]
Calabrese, Edward J., and Linda A. Baldwin. 2003. "Toxicology Rethinks Its Central Belief." Nature 421 (6924): 691–692. [DOI]
Hodge, Harold C., and J. Harvey Sterner. 1949. "Tabulation of Toxicity Classes." American Industrial Hygiene Association Quarterly 10 (4): 93–96. [DOI]
⚠️ Guida visiva ai DPI (dispositivi di protezione individuale)Irritant
🧤 Guanti
Nitrile standard >0.1 mm EN 374-1 typ C
Protezione standard contro le irritazioni cutanee
👁️ Occhiali / occhiali a maschera
EN 166 D
Protezione contro particelle solide e goccioline; categoria di base
🥼 Camice / tuta
Camice da laboratorio standard in cotone EN 13688
Manica lunga standard abbottonata
💨 Ventilation
4 ACH(air changes/hour) Ventilazione generale di laboratorio
4 ACH minimo per operazioni aperte; cappa aspirante per polveri concentrate di CaCl2
📚 Riferimenti scientifici (Chicago Author-Date)
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. EN 374-1:2016. [link ↗] — Classificazione dei guanti resistenti agli agenti chimici tipo A/B/C; test di permeazione JKLPT
European Committee for Standardization (CEN). 2001. EN 166:2001 — Personal eye-protection — Specifications. CEN, Brussels. EN 166:2001. [link ↗] — Marcature: B = energia d'impatto media, T = temp. estreme, 9 = metalli fusi e corpi solidi
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. EN 14605:2009. [link ↗] — Protezione Type 3 (jet-tight) e Type 4 (spray-tight) contro le sostanze chimiche liquide
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. [link ↗] — Guida pratica alla scelta del CPC per sostanza e scenario di esposizione
Occupational Safety and Health Administration (OSHA). 2011. Personal Protective Equipment — General requirements. U.S. Department of Labor — 29 CFR 1910.132. 29 CFR 1910.132. [link ↗] — Il datore di lavoro deve garantire DPI + formazione + valutazione dei rischi documentata per iscritto
📋 Conformità normativa (checklist di conformità)6 richiesto12 voci
ℹ️ Lista di controllo degli obblighi normativi per CAS 87-99-0.
Stato basato su: ADR 2023 (Tabella A), REACH Allegato XVII, CLP Allegato VI (classificazione armonizzata), hazard class da m14-spill DB, SVHC, GIS e NDS PL. Principio: assenza di dati = assenza di affermazione (NON dichiariamo 'assenza di restrizioni' senza base).
✅SDS (Scheda di Dati di Sicurezza) disponibilesoddisfatto
Come garantire la conformità: SODDISFATTO — scheda di dati di sicurezza v16 (PL) disponibile per il download in questa pagina.Requisito: SDS aggiornata conforme al Reg. 1907/2006 (REACH) allegato II, formato a 16 sezioni.
Base giuridica: Rozporządzenie (WE) 1907/2006 (REACH) Art. 31 + Aneks II
Come garantire la conformità: L'etichetta deve contenere: pittogrammi GHS, avvertenza (Pericolo/Attenzione), indicazioni di pericolo H e consigli di prudenza P, dati del produttore. Obbligatorio dal 2010 (sostanze) e dal 2015 (miscele).
Base giuridica: Rozporządzenie (WE) 1272/2008 (CLP) Art. 17-33
❌Formazione in materia di sicurezza chimica (substance-specific)richiesto
Come garantire la conformità: Personale di laboratorio: formazione iniziale (istruzione generale + specifica per la mansione) + aggiornamento periodico ogni 5 anni (o ogni 3 per il personale in posizioni tecnico-ingegneristiche). Documentazione conservata nel fascicolo personale.
Base giuridica: Rozp. MGiP Dz.U. 2004 nr 180 poz. 1860 (szkolenia BHP)
❓Registrazione BDO (banca dati polacca sui rifiuti)da verificare
Come garantire la conformità: Nessuna classificazione di pericolo confermata — lo stato BDO non può essere determinato. Verificare la classificazione CLP e l'obbligo BDO prima dello smaltimento; non presumere l'assenza dell'obbligo.
Base giuridica: Ustawa z 14 grudnia 2012 r. o odpadach (Dz.U. 2013 poz. 21)
Come garantire la conformità: Nessun dato ADR nel set di dati MOL-GOD per questo numero CAS. NON presumere l'assenza di restrizioni — prima della spedizione verificare la classificazione ai fini del trasporto nell'ADR 2023 (Tabella A) e nella sezione 14 della scheda di dati di sicurezza (SDS).
Base giuridica: Umowa europejska ADR 2025 + Ustawa z 19 sierpnia 2011 r. o przewozie towarów niebezpiecznych
Come garantire la conformità: Gli importatori/produttori ≥1 tonnellata/anno devono registrare la sostanza presso l'ECHA (dossier tecnico + Chemical Safety Report se ≥10 t). Consultare ECHA Annex VI / registered substances list.
Base giuridica: Rozporządzenie (WE) 1907/2006 (REACH) Art. 5-22
Come garantire la conformità: Nie figuruje na liście kandydackiej SVHC REACH (art. 59) — stan listy ECHA: 2026-05-23. Lista kandydacka to NIE załącznik XIV.
Base giuridica: REACH Art. 7(2) + 33 — SVHC notification + communication
❓REACH Allegato XVII (restrizioni all'uso/commercializzazione)da verificare
Come garantire la conformità: Brak wpisu w zbiorze klasyfikacji zharmonizowanej (CLP Załącznik VI) dla tego numeru CAS — status poz. 28–30 (zakaz CMR) NIEZWERYFIKOWANY; nie zakładać braku ograniczenia. Zbiór ograniczeń Załącznika XVII również niepełny — sprawdź skonsolidowany Załącznik XVII oraz klasyfikację zharmonizowaną CMR na stronach ECHA.
Base giuridica: Rozporządzenie (WE) 1907/2006 (REACH) Załącznik XVII — ograniczenia produkcji/obrotu/stosowania
❓NDS — Concentrazione Massima Ammissibile nell'ambiente di lavoroda verificare
Come garantire la conformità: Dati NDS non presenti nell'insieme MOL-GOD (insieme incompleto — circa 41 su ~600 sostanze dell'elenco). L'assenza NON significa assenza di NDS — verifica l'elenco completo G.U. 2024 pos. 1017 (Reg. MRiPS del 4 settembre 2024), e in caso di assenza applica OEL dalle direttive UE o raccomandati da NIOSH/ACGIH.
Base giuridica: Rozp. MRiPS z 4 września 2024 r. (Dz.U. 2024 poz. 1017) — NDS i NDSCh
Come garantire la conformità: Non presente nell'insieme di lavoro disponibile dei precursori (elenco incompleto). L'assenza NON è conferma — verifica rispetto all'all. I Reg. (CE) 273/2004 e all'elenco GIS prima della commercializzazione.
Base giuridica: Rozp. (WE) 273/2004 + Ustawa o przeciwdziałaniu narkomanii (Dz.U. 2005 nr 179 poz. 1485)
✅Scheda di dati di sicurezza in lingua polaccasoddisfatto
Come garantire la conformità: SODDISFATTO — scheda in lingua polacca (v16) disponibile in questa pagina.Requisito: SDS in lingua polacca per la commercializzazione in PL (Art. 31 REACH + Legge sulle sostanze chimiche Art. 17).
Base giuridica: Ustawa z 25 lutego 2011 r. o substancjach chemicznych i ich mieszaninach (Dz.U. 2011 nr 63 poz. 322)
European Parliament and Council. 2008. Regulation (EC) No 1272/2008 on classification, labelling and packaging of substances and mixtures (CLP). Official Journal of the European Union L 353/1. CLP Regulation 1272/2008. [link ↗] — Classificazione, etichettatura e imballaggio delle sostanze + miscele (implementazione GHS nell'UE)
European Parliament and Council. 2006. Regulation (EC) No 1907/2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). Official Journal of the European Union L 396/1. REACH Regulation 1907/2006. [link ↗] — REACH — registrazione, valutazione e autorizzazione delle sostanze chimiche; SVHC; SDS Allegato II
Ministerstwo Rodziny i Polityki Społecznej Rzeczypospolitej Polskiej. 2024. Rozporządzenie Ministra Rodziny i Polityki Społecznej z dnia 4 września 2024 r. w sprawie najwyższych dopuszczalnych stężeń i natężeń czynników szkodliwych dla zdrowia w środowisku pracy. Dziennik Ustaw RP 2024 poz. 1017. [link ↗] — NDS e NDSCh per circa 600 sostanze chimiche — limiti polacchi attuali di esposizione professionale
United Nations Economic Commission for Europe (UNECE). 2023. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR), 2025 Edition. United Nations, Geneva. ADR 2025. [link ↗] — Accordo internazionale sul trasporto su strada di merci pericolose — numeri UN, classi, imballaggi
📚 Riferimenti scientifici consolidati — Chicago Author-Date 10 sources
Riferimenti raccolti da tutte le schede del Safety Hub. CAS: 87-99-0 ·
PubChem ↗
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, Normative
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
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
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
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗]
PPE
UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗]
Utylizacja, Regulacje
National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗]
Magazynowanie
Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗]
Magazynowanie
Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗]
Utylizacja
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
Le schede con riferimenti propri (Emergency, PPE, Storage, Waste) contengono ulteriori voci bibliografiche all'interno delle rispettive sezioni.
Incolla una serie di misure replicate (CSV oppure un numero per riga). Il calcolatore calcolerà la media, la deviazione standard e il 95% CI, e rileverà gli outlier (Grubbs + Dixon Q).
Separatore: virgola, spazio, tab, nuova riga. Min 3 misurazioni.
📐 Formule statistiche
x̄ = Σxᵢ / n — media aritmetica
s² = Σ(xᵢ - x̄)² / (n-1) — varianza campionaria
s = √s² — deviazione standard
RSD% = (s / x̄) × 100% — deviazione standard relativa
ℹ️ Single-CAS Integrity: I seguenti solventi sono strumenti analitici (fase mobile HPLC) — NON sono la sostanza analizzata. I valori mostrati negli altri accordion (MW, GHS, tossicologia) si riferiscono alla molecola corrente, non a questi solventi. Eccezione: Single-CAS Integrity (categoria "solventi/tamponi/metodi analitici").
Phase
Solvente / CAS
Stato
Azione
A
Woda + 10mM bufor wodorowęglanu amonu CAS 7732-18-5
Effects of dandelion addition on antioxidant property, sensory characteristics and inhibitory activity against xanthine oxidase of beer
GC-MSCurrent Research in Food Science202290% ✓OAResearch method (specificity, robustness)
Colonna: C18, 5 μm
Fase: mobile phase was delivered in gradient mode at a constant flow rate…
Rivelazione: MS
Flusso: 1.00 mL/min
Temp.: 50.0 °C
Inj.: 1500 μL
Gradient: mode at a constant flow rate of 1
Yao J, Ma Z, Wang Y, Wang Y, Sun L, Liu X. Effects of dandelion addition on antioxidant property, sensory characteristics and inhibitory activity against xanthine oxidase of beer. Current Research in Food Science. 2022;5:927-939. doi:10.1016/j.crfs.2022.05.008
The effects of dandelion addition (DA) on the physiochemical properties, antioxidant activity, inhibitory activity against xanthine oxidase (XOD) and flavor of craft beer were investigated. It was found that DA changed the pH value, total acid content, thiobarbituric-acid-value, sugar content and color of beer, and increased the contents of total polyphenols and flavonoids and thus the antioxidant activity of beer. HPLC analysis showed that DA provided beer with chlorogenic, caffeic, ferulic, and chicoric acid, contributing to the inhibition activity against XOD that is a key enzyme in uric acid production. GC-MS analysis showed that 3-methyl-1-butanol, isopentyl acetate and ethyl caprylate were main aroma components of all samples. Although DA introduced the special aroma component of azulene, it did not significantly affect the appearance, bubble, aroma and taste evaluation of beer. Conclusively, DA potentially improved the beer properties of antioxidant and inhibition of uric acid production without changing its sensory characteristics.
Gradient: parameters are provided in the Supplementary Materials
Drozdowska M, Piasna-Słupecka E, Kmiecik K, Doskocil I, Lampova B, Smid P, et al. Compositional and Functional Analysis of Golden and Brown Flaxseed: Nutrients, Bioactive Phytochemicals, Antioxidant Activity, and Cellular Responses. Nutrients. 2025;17:3407. doi:10.3390/nu17213407
Background: Flaxseed (Linum usitatissimum L.) represents a unique source of bioactive compounds with demonstrated health benefits. The main aim of the research was to investigate the chemical composition, content of bioactive compounds and biological activities of various types of flaxseed and their defatted forms. Methods: Proximate composition (crude fat, protein, ash, digestible carbohydrates, fiber) was determined, and fatty acid profiles were analyzed via GC-MS (gas chromatography–mass spectrometry). Mineral content was measured by atomic absorption spectrometry, while total and individual polyphenols were quantified spectrophotometrically and by HPLC (high-performance liquid chromatography). Antioxidant activity was assessed using three assays. In vitro functional assays evaluated the effects of flaxseed extracts on lactic acid bacteria adhesion in two cellular models, nitric oxide production in liposaccharide (LPS)-stimulated RAW 264.7 macrophages, proliferation and apoptosis of MCF-7 breast cancer cells. Results: Significant differences (p ≤ 0.05) were observed in the proximate composition: brown flaxseed exhibited the highest crude fat content, whereas defatted seeds had higher levels of digestible carbohydrates and ash. α-Linolenic acid was the dominant fatty acid, with the highest concentration in defatted golden flaxseed. Defatted forms generally displayed increased mineral concentrations, particularly calcium, magnesium, potassium, and iron. The polyphenolic content and antioxidant activity were highest in defatted brown flaxseed, which also exhibited the greatest diversity of individual polyphenols. Flaxseed extracts modulated the adhesion of lactic acid bacteria, reduced the production of nitric oxide in RAW 264.7 macrophages, inhibited the proliferation of MCF-7 breast cancer cells in a dose- and time-dependent manner, and induced apoptosis of the mentioned cells. Conclusions: Flaxseed, especially the brown type, could be a promising source of bioact...
Tang W, Wan M, Zhu Z, Chen G, Huang X. Simultaneous determination of eight major bioactive compounds in Dachengqi Tang (DT) by high-performance liquid chromatography. Chinese Medicine. 2008;3:5-5. doi:10.1186/1749-8546-3-5
BackgroundDachengqi Tang (DT) is a common traditional Chinese medicine formula for expelling neire ('internal heat') in the stomach and intestines. There was no reliable analytical method available for the quality control of DT.MethodsA high-performance liquid chromatography (HPLC) method with a reverse phase C18 column (150 × 4.6 mm) was developed. The mobile phase was methanol with 0.2% acetic acid. Eight markers including naringin, hesperidin, aloe emodin, rhein, honokiol, magnolol, emodin and chrysophanol were determined.ResultsRegression analysis revealed a linear relationship between the concentrations of the markers and the peak area ratio of the standards and internal standard. The limit of detection (S/N = 3) and the limit of qualification (RSD < 20%) ranged from 0.21 to 0.43 ng/μl and 0.76 to 1.74 ng/μl respectively. The recovery was between 95.6% and 103.4%. The tests on the samples from three batches of DT showed that the profiles of the markers did not vary significantly among batches.ConclusionA reliable HPLC method for simultaneous determination of the eight markers in DT was developed.
📈 Validazione del metodo (ICH Q2)
Nessun dato di validazione. Contattare l'autore del metodo.
Nessuna interferenza — picco dell'analita completamente risolto (Rs ≥ 2.0)
—
Robustezza (robustness)
nessun dato
RSD < 2% con variazione del ±5%
RSD < 2% con piccole variazioni dei parametri
—
Legend:✓ PASS⚠ CAUTION✗ FAIL— NO_DATA
📚 Riferimenti scientifici (Chicago Author-Date) — fare clic per espandere
Standard di convalida dei metodi analitici — 4 fonti indipendenti (ICH + USP + AOAC + Snyder).
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
United States Pharmacopeia (USP) Convention. 2024. USP General Chapter <621> Chromatography. USP-NF 2024 ed. USP. [link ↗]
AOAC International. 2016. Appendix F: Guidelines for Standard Method Performance Requirements. AOAC INTERNATIONAL. [link ↗] — AOAC SMPR — alternative to ICH Q2 for food/dietary supplements
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
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).
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.
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.
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.
Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — European pharmacopeial perspective — complements USP/AOAC.
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).
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.
🔧 Risoluzione dei problemi HPLC — albero decisionale6 problemi comuni
Diagnostica dei 12 problemi HPLC più comuni con albero decisionale (5 passaggi per problema). Fonte: Snyder/Kirkland/Dolan 3rd ed. Chapter 17 + LCGC LC Troubleshooting columns 1989-2024.
Picchi allargati (broad peaks) medium
Sintomo: Tutti i picchi nel cromatogramma sono più larghi del previsto (FWHM > 2× della norma)
🔍 Albero diagnostico:
1. Verifica se tutti i picchi sono allargati o solo alcuni → SÌ: Tutti → problema strumentale (colonna o sistema) → NO: Solo alcuni → problema chimico (interazione con la colonna per analiti specifici)
2. Sostituisci con una colonna di prova — il problema scompare? → SÌ: COLONNA usurata — packing danneggiato, void nei primi mm. Sostituiscila. → NO: Problema nel sistema LC
3. Controllare il volume morto (dead volume) — loop di iniezione, connessioni, rivelatore → SÌ: Loop > 100 µL per una colonna da 4.6 mm o connessioni allentate → sostituire le ferrule, accorciare i tubi → NO: Continua diagnostica
4. Test di temperatura: aumentare la colonna da 25°C a 40°C → SÌ: Picchi più stretti → cinetica di trasferimento di massa troppo lenta (aumentare T) → NO: Continue
5. Controllare il flow rate rispetto al valore ottimale di van Deemter per questa colonna → SÌ: Ottimale per 4.6mm/5µm = 1.0 mL/min, per 2.1mm/3µm = 0.4 mL/min → NO: Continue
⚠️ Cause comuni:
Colonna usurata (>2000 iniezioni senza guard)
Volume morto del sistema > 100 µL (loop errato, tubi lunghi, ferrule allentate)
Temperatura troppo bassa (cinetica di trasferimento di massa)
Flow rate al di fuori dell'ottimale di van Deemter
Solvente del campione più forte della fase A
✓ Soluzioni:
✓ Sostituire la colonna (quando >2000 iniezioni)
✓ Controllare tutte le connessioni — tubi il più corti possibile
✓ Aumentare la T della colonna a 40°C (se la sostanza è stabile)
✓ Ridurre il flow all'ottimale di van Deemter
✓ Sciogliere il campione nella fase A (non in organico puro)
Coda dei picchi (tailing, T > 1.5) high
Sintomo: I picchi presentano una "coda" prolungata sul lato di eluizione tardiva (asimmetria T = b/a > 1.5 secondo USP)
🔍 Albero diagnostico:
1. La sostanza contiene gruppi basici (ammino, piridina)? → SÌ: Sì → interazioni silanoliche! Aggiungere 0.1% TFA o 5-10 mM TEA alla fase A. → NO: Continue
2. Controllare il pH della fase mobile rispetto al pKa della sostanza → SÌ: pH = pKa ± 1 → ionizzazione parziale, peak split. Portare il pH a ≥ 2 unità di distanza dal pKa. → NO: Continue
3. Controllare l'età della colonna (>1500 iniezioni?) → SÌ: Sì → silanoli esposti (column bleed). Sostituire con una colonna con endcapping più elevato (XTerra, Symmetry). → NO: Continue
4. Il campione contiene metalli (Fe, Cu dalle fiale di vetro)? → SÌ: Sì → utilizzare fiale incolori di tipo II o PFA. EDTA 0.1mM nel campione. → NO: Continue
⚠️ Cause comuni:
Interazioni silanoliche (analita basico + silanoli liberi del gel di silice)
pH al limite del pKa dell'analita (peak split)
Colonna vecchia (column bleed, elevata attività silanolica)
Metalli nel campione (chelazione → tailing)
Sovraccarico della colonna (>50 µg su una colonna da 4.6mm)
✓ Soluzioni:
✓ Aggiungere 0.1% TFA (UV) o 0.1% acido formico (LC-MS) alla fase A
✓ Scegliere una colonna con endcapping ad alta purezza: Waters XBridge BEH, Phenomenex Kinetex
✓ Lavorare a pH ≥ 2 unità di distanza dal pKa
✓ EDTA 0.1mM nel campione (chelazione Fe/Cu)
✓ Ridurre il volume di iniezione a ≤ 20 µL per una colonna da 4.6mm
Deriva della linea di base (baseline drift) medium
Sintomo: La linea di base aumenta o diminuisce sistematicamente per >5 minuti
🔍 Albero diagnostico:
1. Si sta utilizzando un gradiente (B% in aumento)? → SÌ: Sì → assorbimento diverso delle fasi A e B a dλ. Cambio di solvente nell'UV-cutoff. Controllare l'assorbanza UV del % di organico. → NO: Continua (isocratico)
2. Controllare la temperatura della colonna — è stabile a ±0.5°C? → SÌ: Sì (stabile) → continua → NO: Instabile → attivare il termostato della colonna (>25°C controllato)
3. Test: spegnere l'autosampler, far funzionare solo pompa+colonna+rivelatore → SÌ: La deriva scompare → contaminazione dell'autosampler (pulire l'ago, il septum) → NO: Continue
4. Controllare l'età della lampada (D2 per UV) → SÌ: Sì (>1500 ore) → sostituire la lampada → NO: Continue
⚠️ Cause comuni:
Eluizione a gradiente con UV-cutoff diverso delle fasi
T della colonna instabile
Contaminazione dell'ago/septum dell'autosampler
Lampada UV vecchia (>1500h)
Cella di flusso del rivelatore sporca
Colonna non equilibrata (<10 volumi di colonna)
✓ Soluzioni:
✓ Pre-equilibrare la colonna per 10-15 volumi di colonna al 100% A
✓ Termostato colonna attivo, T 30-40°C stabile
✓ Pulire la flow cell del rivelatore con soluzione ACN:H2O 50:50
✓ Sostituire la lampada D2 se >1500h
✓ Usare la baseline subtraction (funzione nativa Chromeleon, Empower)
Nessun picco / picco perso (no peak) critical
Sintomo: Il picco atteso dell'analita non compare nel cromatogramma
🔍 Albero diagnostico:
1. L'iniezione è stata effettivamente eseguita? → SÌ: Controllare il log dell'autocampionatore, la pressione della pompa (dovrebbe calare durante l'iniezione) → NO: Problema dell'autocampionatore → controllare il loop, l'ago, il campione nella fiala
2. Il campione è nella fiala (volume corretto, non evaporato)? → SÌ: Continue → NO: Nessun campione — ri-pipettare
3. Stabilità del campione — preparato >24h fa? → SÌ: Sì → degradazione. Ri-preparare un campione fresco. → NO: Continue
4. Controllare la lunghezza d'onda di rilevazione rispetto al λmax della sostanza → SÌ: Rilevazione a λ NON corrisponde al λmax → nessun segnale. Scansione DAD 200-400nm. → NO: Continue
5. Test: iniettare uno standard puro (di concentrazione nota, fresco) → SÌ: Lo standard dà un picco → problema con il campione (matrice, derivatizzazione) → NO: Nessun picco anche con lo standard → problema di sistema (colonna, fase, gradiente)
⚠️ Cause comuni:
Campione non prelevato dalla fiala (bug dell'autocampionatore)
Campione degradato (>24h pH/temp/luce)
Rilevazione alla lunghezza d'onda errata
Fase mobile errata (es. TFA dimenticato)
Colonna invertita / fase stazionaria errata
La sostanza eluisce sul fronte (V0) → non trattenuta, non visibile
✓ Soluzioni:
✓ Ri-preparare un campione fresco secondo il protocollo esatto
✓ Scansione UV-Vis DAD 200-400nm + ricerca del λmax
✓ Controllare la composizione della fase mobile — TFA aggiunto?
✓ Testare la direzione inversa della colonna (con cautela!)
✓ Per ritenzione <1 min — abbassare il % B, MeOH al posto di ACN
✓ Controllare la tabella "expected_rt" in wp_molgod_hplc_methods
Pressione troppo alta (pressure too high) critical
Sintomo: Pressione della pompa > 80% del massimo della colonna o shutdown del sistema con errore high-pressure
🔍 Albero diagnostico:
1. Controllare che la colonna sia collegata correttamente (direzione della freccia) → SÌ: OK → NO: Colonna invertita → invertirla (non lavorare mai "al contrario")
2. Test: rimuovere la colonna dal sistema, far girare pompa+rivelatore da soli → SÌ: La pressione scende a <50 bar → problema nella colonna (intasata) → NO: La pressione rimane alta → filtro in-line intasato, frit sporco
3. Controllare il filtro pre-colonna (frit in-line) → SÌ: Sporco e brunastro → sostituire → NO: Continue
4. Retro-lavare la colonna con ACN:H2O 50:50 senza la colonna — scompare? → SÌ: Particelle bloccate nel primo mm — un flush di 30 min può recuperarla → NO: Sostituire la colonna
⚠️ Cause comuni:
Filtro in-line (frit) intasato da particelle
Salting-out del buffer (precipitazione ad alto %B)
Il campione contiene materiale in sospensione (filtrare a 0.22 µm prima dell'iniezione)
Colonna intasata (compattazione del letto della colonna)
Gradiente con fase buffer + molto organico → precipitazione del sale
✓ Soluzioni:
✓ Filtrare SEMPRE il campione con PVDF 0.22 µm prima dell'iniezione
✓ Sostituire il filtro in-line ogni 100 iniezioni (o quando la pressione aumenta >20%)
✓ NON usare buffer fosfato >20mM + >70% ACN (il sale precipita)
✓ Lavare la colonna per 30 min con ACN:H2O 50:50 in direzione inversa (quando il produttore lo consente)
✓ Pre-colonna 4×3mm per proteggere la colonna principale
Picchi fantasma (ghost peaks) high
Sintomo: Picchi inspiegabili sul cromatogramma assenti nella calibrazione
🔍 Albero diagnostico:
1. Test: iniezione in bianco (solvente puro del campione) → SÌ: Compare un ghost → contaminazione del sistema o degli eluenti → NO: Compare solo con il campione → matrice
2. Il ghost cresce con il gradiente (eluisce ad alta %B)? → SÌ: Sì → colonna sovraccarica o composti fortemente trattenuti dalla corsa precedente → NO: Indipendente dal gradiente → carryover dell'autocampionatore
3. Increase carryover wash (between injections) → SÌ: Aiuta → il carryover era la causa. Protocollo di lavaggio più forte. → NO: Continue
4. Iniezione di acqua pura — c'è un picco? → SÌ: Sì → contaminazione della fonte d'acqua (sostanze organiche dal sistema DI) → NO: Continue
⚠️ Cause comuni:
Carryover nell'ago/loop dell'autocampionatore
Contaminazione dell'eluente (anche di grado HPLC)
Componenti fortemente trattenuti da corse precedenti
Plastica nelle fiale (ftalati, PEG dai tappi)
Acqua DI insufficientemente purificata
✓ Soluzioni:
✓ Rafforzare il protocollo di lavaggio: 100% B → 100% A → 50:50 (3 cicli)
✓ Lavaggio forte: DMSO 100% o MeOH 100% prima della calibrazione
✓ Filtrare gli eluenti con PTFE 0.22 µm in caso di dubbio
✓ Usare vetro ambrato + tappi con rivestimento in Teflon per i campioni
✓ Rampa di gradiente periodica fino a 100% B per 10 min (clean-out)
📚 Riferimenti scientifici (Chicago Author-Date) — fare clic per espandere
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 ↗]
Dolan, John W.. 2014. LC Troubleshooting (monthly column 1989-2024). LCGC North America. [link ↗] — John Dolan 35-letnia seria miesięcznych artykułów problemowych
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
Dolan, John W.. 2013. When to Modify Method Conditions. 192-199. [link ↗] — Decision flow for changing flow rate / temperature / %B vs swapping columns.
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).
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.
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).
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).
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).
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 ↗]
Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
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 ↗]
Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. Probabilistic approach to peak deconvolution in chromatography. 8525-8531. https://doi.org/10.1021/ac101742z [link ↗]
🧪 Solubilità e compatibilità con i solventi MolGod_SOLUB_1
Molecola
(2S,4R)-Pentane-1,2,3,4,5-Pentol
Formula
C5H12O5
logP
-2.50
Massa (g/mol)
152.15
Polarità
Idrofila (polare)
⚠️ Stima HSP (letteratura / group contribution). Dati indicativi — non sostituiscono le prove sperimentali.
Teoria della solubilità (applicata nella previsione della compatibilità):
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).
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — Tripletta HSP (dD, dP, dH) + formula Ra.
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
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.
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.
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.
Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Set tabulare completo di 250+ solventi (ε, μ, donicità, numeri di accettore).
PubChem Compound Database — CAS 87-99-0 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.
Bibliografia completa nell'accordion RIFERIMENTI (in fondo alla pagina) — Chicago Manual of Style 17th ed., Author-Date.
🧮 Calcolatore di solubilità
Solubilità:—
logS:—
Metodo:—
⚠️ —
Solubilità vs Temperatura
🌐 Hansen Solubility Sphere (3D)
Quanto più vicino alla molecola (sfera rossa), tanto migliore è il solvente. · Avanzato: etichette + griglia + assi + pulsazione.
La tua molecola
Buono (Ra < 5)
Medio (Ra 5-10)
Scarso (Ra > 10)
📚 Fonti dei dati HSP + Ra
Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers: Their Correlation with Chemical Structure; Their Numerical Estimation and Prediction from Additive Group Contributions. 4th ed. Amsterdam: Elsevier. [DOI ↗]
Stefanis, Eirini, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29 (2): 568–585. [DOI ↗]
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton: CRC Press. [DOI ↗]
Martin, Andre, Joel Newburger, and Alan Adjei. 1993. "Extended Hildebrand Solubility Approach: Solubility of Caffeine in Dioxane–Water Mixtures." Journal of Pharmaceutical Sciences 82 (3): 248–252. [DOI ↗]
Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters. 2nd ed. Boca Raton: CRC Press. ↗
Fedors, R. F. 1974. "A Method for Estimating Both the Solubility Parameters and Molar Volumes of Liquids." Polymer Engineering and Science 14 (2): 147–154. [DOI ↗]
Metodo: Group Contribution (GC) — stima rapida di δD/δP/δH da logP in assenza di dati sperimentali. Accuratezza ±2 MPa^½. Per maggiore precisione → software HSPiP.
❓ Jak przygotować roztwór standardowy ksylitolu fińskiego cukru brzozowego Danisco o masie molowej 152.15 g/mol i stężeniu 0.1 M?
Aby przygotować roztwór standardowy ksylitolu o stężeniu 0.1 M, należy obliczyć masę substancji potrzebną do sporządzenia 1 litra roztworu. Masa molowa ksylitolu wynosi 152.15 g/mol, więc dla stężenia 0.1 M (moli na litr) potrzeba: 0.1 mola/l * 152.15 g/mol = 15.215 g ksylitolu na 1 litr roztworu. Następnie rozpuszcza się 15.215 g ksylitolu w wodzie destylowanej i uzupełnia do objętości 1 litra.
Utile?
❓ Jak przechowywać ksylitol fiński cukier brzozowy Danisco, aby zachować jego właściwości?
Ksylitol należy przechowywać w szczelnie zamkniętym pojemniku, w suchym miejscu, w temperaturze pokojowej (15-25°C). Należy unikać bezpośredniego światła słonecznego i wilgotności powyżej 70%. Optymalne warunki przechowywania to ciemne, suche miejsce o stabilnej temperaturze.
Utile?
❓ Jaka metoda analityczna jest zalecana do analizy ksylitolu fińskiego cukru brzozowego Danisco i dlaczego?
Zalecaną metodą analityczną dla ksylitolu jest wysokosprawna chromatografia cieczowa (HPLC) ze względu na jego polarny charakter i masę molową 152.15 g/mol. HPLC pozwala na dokładne określenie czystości i identyfikację zanieczyszczeń. W przypadku niskiej polarności (logP) można rozważyć chromatografię gazową (GC), ale HPLC jest bardziej odpowiednia dla tej substancji.
Utile?
❓ Jakie są potencjalne reaktywności i niezgodności chemiczne ksylitolu fińskiego cukru brzozowego Danisco?
Ksylitol jest stabilny w standardowych warunkach przechowywania. Może reagować z silnymi utleniaczami i zasadami, tworząc niepożądane produkty uboczne. Należy unikać kontaktu z substancjami redukującymi i kwasami o wysokim stężeniu. Niezgodności chemiczne obejmują reakcje z jodem i niektórymi metalami ciężkimi.
Utile?
❓ Jakie jest praktyczne zastosowanie laboratoryjne ksylitolu fińskiego cukru brzozowego Danisco w chemii analitycznej?
Ksylitol jest stosowany jako standard w analizach chromatograficznych, szczególnie w HPLC, do kalibracji i walidacji metod. Jego stabilność i czystość pozwalają na precyzyjne pomiary. Może być również używany jako rozpuszczalnik w niektórych procedurach ekstrakcyjnych lub jako dodatek do buforów.
📊 Argomenti estratti automaticamente dagli abstract di 2 pubblicazioni per CAS 87-99-0.
Algoritmo: TF-IDF (Salton & Buckley 1988) — frequenza del termine × frequenza inversa del documento.
Profesjonalny produkt chemiczny dostępny w naszym sklepie. Gwarantujemy wysoką jakość i szybką wysyłkę w ciągu 24 godzin.
Zastosowania
Produkt przeznaczony do zastosowań technicznych, laboratoryjnych lub przemysłowych. Przed użyciem zapoznaj się z kartą charakterystyki.
⚠ UWAGA — ODCZYNNIK CHEMICZNY
Ksylitol fiński (C5H12O5) powszechnie znana jako ksylitol, cukier brzozowy, E967 to odczynnik chemiczny przeznaczony wyłącznie do zastosowań laboratoryjnych, badawczych i profesjonalnych. Numer CAS: 87-99-0 Numer WE (EC): 201-788-0 Nazwa IUPAC:(2R,3R,4S)-pentano-1,2,3,4,5-pentol Nazwa łacińska (Farmakopea):Xylitolum
NIE NADAJE SIĘ DO SPOŻYCIA przez ludzi ani zwierzęta. Produkt nie jest lekiem, suplementem diety, kosmetykiem ani środkiem spożywczym. Jakiekolwiek inne zastosowanie niż laboratoryjne lub przemysłowe jest niezgodne z przeznaczeniem produktu.
Wymagane środki ochrony osobistej: rękawice ochronne, okulary lub gogle, fartuch laboratoryjny, praca w dobrze wentylowanym pomieszczeniu lub pod wyciągiem chemicznym.
Przed użyciem zapoznaj się z kartą charakterystyki substancji (SDS/MSDS) zgodnie z rozporządzeniem REACH (WE) 1907/2006 oraz CLP (WE) 1272/2008. Sprzedaż wyłącznie do celów technicznych.
Najczęstsze pytania
Czy mogę zwrócić produkt?
Tak, oferujemy prawo zwrotu. Produkt musi być w oryginalnym, nienaruszonym opakowaniu.
Czy wystawiacie faktury VAT?
Tak, faktura VAT wystawiana automatycznie na życzenie klienta.
Jak szybko otrzymam przesyłkę?
Zamówienia realizujemy w ciągu 1-2 dni roboczych od zaksięgowania płatności.
Gradiente basato su PubChem XLogP3 + LSS (Snyder et al. 2010, cap. 9).
Colonna: C18
Tampone: phosphate
Flusso: 1 mL/min
logP:
-2.5(PubChem XLogP3)
Ramp: 5% → 95% B, 10 min
Tempo totale di analisi: 23 min
t (min)
%A
%B
flow (mL/min)
Commento
0
95
5
1
avvio (equilibrio)
2
95
5
1
fine mantenimento iniziale
12
5
95
1
fine rampa LSS
17
5
95
1
lavaggio della colonna
18
95
5
1
ritorno a init
23
95
5
1
riequilibrazione
📚 Riferimenti scientifici (Chicago Author-Date)
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).
Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
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.
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.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
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.
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 ↗]
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).
Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗]
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
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 ↗]
Engelhardt, Heinz. 2014. 100 Years of Chromatography. Wiley-VCH.
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/87-99-0
📐 Calcolatore della simmetria del picco HPLC (USP Tf / As)
Calcola il fattore di tailing USP (T) e l'asimmetria (As) dalle semilarghezze del picco. Inserisci a (semilarghezza sinistra) e b (semilarghezza destra) misurate al 5% o 10% dell'altezza del picco.
📚 Riferimenti (Chicago Author-Date)
USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. [link ↗] — Defines USP Tailing Factor T = (a+b)/(2a) measured at 5% peak height.
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).
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).
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.
Dolan, John W.. 2003. "Peak tailing and resolution." LCGC North America 21: 610-614 [link ↗] — How tailing factor degrades effective resolution.
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.
Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH. — Practical Tf and As thresholds for routine QC.
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." Wiley. https://doi.org/10.1002/9781119313793 [link ↗]
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 ↗]
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 ↗]
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 ↗]
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 ↗]
Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
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 ↗]
📊 Calcolatore di risoluzione e numero di piatti (Rs, N, H)
Calcola la risoluzione Rs, il numero di piatti teorici N e l'HETP (H) per una coppia di picchi HPLC. Inserisci i tempi di ritenzione, le larghezze dei picchi (al 50% o alla base) e la lunghezza della colonna.
📚 Riferimenti (Chicago Author-Date)
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).
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.
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.
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.
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).
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.
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 ↗]
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 ↗]
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 ↗]
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 ↗]
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 ↗]
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 ↗]
Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
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 ↗]
🧪 System Suitability — calcolatore live (USP <621>)
Inserisci i dati di 5-6 iniezioni (areas, tr, tailing, plates) — il calcolatore calcolerà %RSD, le medie e verificherà la conformità con USP <621>. Puoi incollare un CSV (separato da virgole) o modificare i singoli valori.
📚 Riferimenti (Chicago Author-Date)
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.
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.
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.
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).
Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." — Robustness vs. system suitability — design-of-experiments framework.
Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation."
European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. [link ↗] — EMA companion guideline with bioanalytical SS criteria.
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. — UHPLC-specific suitability adjustments (n=5 vs. n=6).
Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience.
AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. [link ↗] — Alternative SS thresholds for food/dietary samples.
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial."
Carr, Peter W.. 2009. "The new physical chemistry of HPLC."
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations."
Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography."
Hai un blog, un forum o un sito scientifico? Incorpora la molecola 3D interattiva nel tuo sito — la vedrà ogni tuo lettore,e sotto trova un link al nostro negozio dove può acquistare il reagente.
🔗 Codice HTML iframe (il più semplice — funziona ovunque)
Copia e incolla nell'editor HTML del tuo sito:
Adatta width e height al tuo layout.
⚙ WordPress Shortcode (per altri negozi con MOL-GOD)
🌐 Link diretto (per email, chat, LinkedIn, Twitter)
📱 QR code (per la stampa su volantini / etichette / cataloghi)
Inseriscilo nel catalogo prodotti, sull'etichetta del flacone o su un volantino. Il cliente lo scansiona — vede la molecola 3D sul telefono, con un link al tuo negozio.
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📚 RIFERIMENTI (Bibliografia complessiva, Chicago Author-Date) 107 elementi
Tutte le fonti scientifiche citate negli accordion sopra per il CAS 87-99-0.Formato: Chicago Manual of Style 17ª ed., sistema Author-Date.
AIST. 2026. Spectral Database for Organic Compounds (SDBS): CAS 87-99-0. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/. (Accessed 2026-11-12.)
PubChem. 2026. PubChem Compound Summary: CAS 87-99-0. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=87-99-0. (Accessed 2026-11-12.)
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.
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.
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.
Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 87-99-0. Lyon, France: International Agency for Research on Cancer, World Health Organization. (Accessed 2026-11-12.)
📄 Articoli scientifici (peer-reviewed)
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.
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.
European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
U.S. OSHA. 2026. "Occupational Safety and Health Guidance: CAS 87-99-0." Washington, DC: U.S. Occupational Safety and Health Administration. https://www.osha.gov/hazwoper. (Accessed 2026-11-12.)
National Fire Protection Association (2018) — NFPA 472: Standard for Competence of Responders to Hazardous Materials/Weapons of Mass Destruction Incidents https://www.nfpa.org/codes-and-standards/nfpa-472.
U.S. National Institute for Occupational Safety and Health (2024) — NIOSH Pocket Guide to Chemical Hazards https://www.cdc.gov/niosh/npg/.
Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley.
Schoenmakers, Peter J.. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier.
Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley.
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. https://doi.org/10.1016/j.chroma.2008.10.005.
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.
Engelhardt, Heinz. 2014. 100 Years of Chromatography. Wiley-VCH.
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.
Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." https://doi.org/10.1016/0009-2509(56)80003-1.
Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." https://doi.org/10.1002/jssc.200700026.
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development." Wiley.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." https://doi.org/10.1021/ac101742z.
Sadek, Paul C.. 2002. "The HPLC Solvent Guide." Wiley-Interscience.
Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." https://doi.org/10.1021/ac00255a033.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183.
United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General Requirements for the Competence of Testing and Calibration Laboratories." Geneva: ISO. https://www.iso.org/standard/66912.html.
Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." John Wiley & Sons. https://doi.org/10.1002/9780470508183.
U.S. FDA. 2026. "FDA Guidance and Resources: CAS 87-99-0." Silver Spring, MD: U.S. Food and Drug Administration. https://www.fda.gov/media/74954/download. (Accessed 2026-11-12.)
International Organization for Standardization. 1994. "ISO 5725-2:1994 Accuracy (Trueness and Precision) of Measurement Methods and Results — Part 2: Basic Method for the Determination of Repeatability and Reproducibility of a Standard Measurement Method." Geneva: ISO. https://www.iso.org/standard/11834.html.
Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
Snedecor, George W., and William G. Cochran. 1989. Statistical Methods. 8th ed. Ames, IA: Iowa State University Press.
Student [William Sealy Gosset]. 1908. "The Probable Error of a Mean." Biometrika 6 (1): 1–25.
International Organization for Standardization. 2005. "ISO 3534-1:2006 Statistics — Vocabulary and Symbols — Part 1: General Statistical Terms and Terms Used in Probability." Geneva: ISO. https://www.iso.org/standard/40145.html.
Thompson, Michael, Stephen L. R. Ellison, and Roger Wood. 2002. "Harmonized Guidelines for Single-Laboratory Validation of Methods of Analysis." Pure and Applied Chemistry 74 (5): 835–855.
United Nations Economic Commission for Europe. 2024. European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR), Applicable as from 1 January 2025 (ECE/TRANS/352). Geneva: UNECE. https://unece.org/transport/dangerous-goods/adr-2025-edition.
Ministerstwo Klimatu i Srodowiska. 2026. "Baza Danych o Odpadach (BDO): CAS 87-99-0." Warszawa: Ministerstwo Klimatu i Srodowiska. https://bdo.mos.gov.pl/. (Accessed 2026-11-12.)
Pohanish, Richard P.. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." Elsevier.
Lewis, Richard J.. 2012. "Sax's Dangerous Properties of Industrial Materials." Wiley.
NIOSH. 2024. "Pocket Guide to Chemical Hazards." U.S. Department of Health and Human Services. https://www.cdc.gov/niosh/npg/.
IPCS INCHEM. 2024. "International Programme on Chemical Safety — Waste Management Guidelines." WHO/UNEP/ILO. https://www.inchem.org/.
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. https://www.iso.org/standard/66912.html.
World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. https://www.who.int/publications/m/item/trs957-annex3.
Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. https://picscheme.org/en/publications.
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