기본 정보
- 표준 SMILES
CCCCCCCCCCCCCCCO- InChIKey
REIUXOLGHVXAEO-UHFFFAOYSA-N- 분자식
- C15H32O
- 평균 분자량
- 228.41 g/mol
- 단동위원소 질량
- 228.24531564
이름 및 식별자
- 우선 이름
- 1-Pentadecanol
- IUPAC
- pentadecan-1-ol
- 영어명
- 1-Pentadecanol
- 분자식
- C15H32O
- 분자량
- 0
이름 및 동의어
1-PENTADECANOLpentadecan-1-olPentadecanolPentadecyl alcoholAlfol 15DTXSID0027270n-pPentadecanolUNII-333QVA4G2QPentadecanol-(1)333QVA4G2QDTXCID20727031389-11-4
이름 더 보기
EINECS 211-107-9NSC 66446NSC-66446AI3-33881CHEBI:774681-pentadecanol (ACD/Name 4.0)nPentadecanoln1Pentadecanol
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 112
실험 및 물리화학적 성질
Density0.829 at 122 °F (USCG, 1999) - Less dense than water; will float
Boiling Point
572 °F at 760 mmHg (USCG, 1999)
298.00 to 299.00 °C. @ 760.00 mm Hg
Melting Point
111 °F (USCG, 1999)
45 - 46 °C
Vapor Pressure0.000038 [mmHg]
Physical Description
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
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
물리화학적 성질
- 녹는점
- 45 · 45-46 °C
- 끓는 점
- 122 · 122-125 °C(Press: 0.35 Torr)
- 밀도
- 0.8364 g/cm3 · 0.8364 g/cm3(Temp: 22.4 °C)
- 산도 계수 (pKa)
- 15.2 · 15.20±0.10(Predicted)
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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
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
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.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesNot Classified
안전 및 보호
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)
규제 정보
Regulatory Information
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
화학 및 산업
약리 정보
Cellular LocationsExtracellular；Membrane
용도 및 제조
UsesUsed strictly as an intermediate; [EPA ChAMP] Long chain alcohols are naturally produced by all living organisms; [Reference #1]
U.S. Production2023: 50,000,000 - <100,000,000 lb；2022: 10,000,000 - <50,000,000 lb；2021: <50,000 lb；2020: <50,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
Use ClassificationCosmetics -> Emollient; Emulsion stabilizing
General Manufacturing Information
Petrochemical Manufacturing
1-Pentadecanol: ACTIVE
공급사1 곳
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