1-Pentadecanol

HCID 12397CAS 31389-11-4

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCCCCCO
InChIKey: REIUXOLGHVXAEO-UHFFFAOYSA-N
Summenformel: C15H32O
Durchschnittliche Molmasse: 228,41 g/mol
Monoisotopische Masse: 228,24531564

Namen und Bezeichner

Bevorzugter Name: 1-Pentadecanol
IUPAC: pentadecan-1-ol
Englischer Name: 1-Pentadecanol
Summenformel: C15H32O
Molmasse: 0

Namen und Synonyme

1-PENTADECANOLpentadecan-1-olPentadecanolPentadecyl alcoholAlfol 15DTXSID0027270n-pPentadecanolUNII-333QVA4G2QPentadecanol-(1)333QVA4G2QDTXCID20727031389-11-4

Weitere Namen anzeigen

EINECS 211-107-9NSC 66446NSC-66446AI3-33881CHEBI:774681-pentadecanol (ACD/Name 4.0)nPentadecanoln1Pentadecanol

Datenbank-Bezeichner

CAS: 31389-11-4、629-76-5、67762-25-8
PubChem CID: 12397
DTXSID: DTXSID0027270
ChEMBL: CHEMBL26561
ChEBI: CHEBI:77468
UNII: 333QVA4G2Q
EC Number: 211-107-9
Nikkaji: J45.981J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,8
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 13
Schwere Atome: 16
Formalladung: 0
Komplexität: 112

Experimentelle und physikochemische Eigenschaften

Density0.829 at 122 °F (USCG, 1999) - Less dense than water; will float

Boiling Point · 2 Einträge

572 °F at 760 mmHg (USCG, 1999)

298.00 to 299.00 °C. @ 760.00 mm Hg

Melting Point · 2 Einträge

111 °F (USCG, 1999)

45 - 46 °C

Vapor Pressure0.000038 [mmHg]

Physical Description · 4 Einträge

Pentadecanol is a colorless liquid with a faint odor of alcohol. Floats on water. (USCG, 1999)

Liquid

Solid; [Reference #1] White solid; [Alfa Aesar MSDS]

Solid

Kovats Retention Index · 3 Einträge

1791；1765.1；1777；1732；1772；1776；1766；1768；1755；1761；1768；1765；1766

1788.9；1772；1775；1775；1778；1787；1794；1794；1789；1765；1778；1771；1789；1774；1787；1774；1749；1787；1775；1754

2257；2254；2241；2278；2250；2279；2287；2272；2287；2286；2243

Physikochemische Eigenschaften

Schmelzpunkt: 45 · 45-46 °C
Siedepunkt: 122 · 122-125 °C(Press: 0.35 Torr)
Dichte: 0.8364 g/cm3 · 0.8364 g/cm3(Temp: 22.4 °C)
pka: 15.2 · 15.20±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 99.8% (532 of 533) of all reports.

Not Classified；Reported 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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1-Pentadecanol

Commission 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

Other Safety InformationIMAP assessments - 1-Pentadecanol: Human health tier I assessment

Health HazardsLow toxicity. Excessive exposure produces some central nervous system depression. Prolonged contact produces skin irritation. (USCG, 1999)

Hazards Summary · 1 Eintrag

Low toxicity, but overexposure can cause CNS depression and prolonged skin contact causes irritation; [CHRIS] Aliphatic alcohols are metabolized and eliminated efficiently; Not skin sensitizers; May have low-grade liver effects; CNS depression seen in shorter chain alcohols, e.g., 1-hexanol and 1-octanol; No evidence of adverse effects on reproductive organs, fertility, or the developing fetus in repeated dose animal studies; Not likely to be carcinogenic; [Reference #1] May cause irritation; [Alfa Aesar MSDS]

Reactive GroupAlcohols and Polyols

Reactivity Profile · 1 Eintrag

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.

Sicherheit und Schutzausrüstung

Fire FightingFire Extinguishing Agents Not to Be Used: Water or foam may cause frothing.；Fire Extinguishing Agents: Foam, dry chemical or carbon dioxide (USCG, 1999)

First AidINHALATION: if necessary, support respiration.；INGESTION: induce vomiting and call a doctor.；SKIN OR EYES: wash with copious amounts of water. (USCG, 1999)

Personal Protective Equipment (PPE)Goggles or face shield. (USCG, 1999)