Identifikatoren & physikalische Daten
| CAS No. | 31389-11-4 |
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| Summenformel | C15H32O |
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| Durchschnittliche Molmasse | 228,41 g/mol |
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| Monoisotopische Masse | 228,24531564 g/mol |
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| SMILES | CCCCCCCCCCCCCCCO |
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| InChIKey | REIUXOLGHVXAEO-UHFFFAOYSA-N |
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| PubChem CID | 12397 |
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| ChEMBL | CHEMBL26561 |
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| ChEBI | CHEBI:77468 |
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| EC No. | 211-107-9 |
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| DTXSID | DTXSID0027270 |
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Chemische & physikalische Eigenschaften
| XLogP | 6,8 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 13 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 112 |
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| Dichte | 0.829 at 122 °F (USCG, 1999) - Less dense than waterwill float0.8364 g/cm3(Temp: 22.4 °C) |
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| Siedepunkt | 572 °F at 760 mmHg (USCG, 1999)298.00 to 299.00 °C. @ 760.00 mm Hg122-125 °C(Press: 0.35 Torr) |
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| Schmelzpunkt | 111 °F (USCG, 1999)45 - 46 °C45-46 °C |
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| Dampfdruck | 0.000038 [mmHg] |
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| Physical Description | Pentadecanol is a colorless liquid with a faint odor of alcohol. Floats on water. (USCG, 1999)Solid[Reference #1] White solid[Alfa Aesar MSDS] |
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| Kovats Retention Index | 17911765.1177717321772177617661768175517611788.91775177817871794178917711774174917542257225422412278225022792287227222862243 |
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| pKa (Säurekonstante) | 15.20±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 99.8% (532 of 533) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 532 of 533 companies (only 0.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 533 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 532 of 533 reports by companies.There is 1 notification provided by 1 of 533 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Regulatorische Informationen | Chemical: 1-PentadecanolCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Pentadecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Pentadecanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)1-Pentadecanol: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - 1-Pentadecanol: Human health tier I assessment |
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| Gesundheitsgefahren | Low toxicity. Excessive exposure produces some central nervous system depression. Prolonged contact produces skin irritation. (USCG, 1999) |
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| Gefahrenübersicht | Low toxicity, but overexposure can cause CNS depression and prolonged skin contact causes irritation[CHRIS] Aliphatic alcohols are metabolized and eliminated efficientlyNot skin sensitizersMay have low-grade liver effectsCNS depression seen in shorter chain alcohols, e.g., 1-hexanol and 1-octanolNo evidence of adverse effects on reproductive organs, fertility, or the developing fetus in repeated dose animal studiesNot likely to be carcinogenic[Reference #1] May cause irritation[Alfa Aesar MSDS] |
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| Reaktive Gruppe | Alcohols and Polyols |
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| Reactivity Profile | PENTADECANOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. |
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| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
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| Hazard Classes and Categories | Not Classified |
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| Brandbekämpfung | Fire Extinguishing Agents Not to Be Used: Water or foam may cause frothing.Fire Extinguishing Agents: Foam, dry chemical or carbon dioxide (USCG, 1999) |
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| Erste Hilfe | INHALATION: if necessary, support respiration.INGESTION: induce vomiting and call a doctor.SKIN OR EYES: wash with copious amounts of water. (USCG, 1999) |
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| Personal Protective Equipment (PPE) | Goggles or face shield. (USCG, 1999) |
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