기본 정보
- 표준 SMILES
CCCCCCCCCCCCCCCCC(=O)O- InChIKey
KEMQGTRYUADPNZ-UHFFFAOYSA-N- 분자식
- C17H34O2
- 평균 분자량
- 270.5 g/mol
- 단동위원소 질량
- 270.25588033
개요
Heptadecanoic acid is a C17 saturated fatty acid and trace component of fats in ruminants. It has a role as a mammalian metabolite, a Daphnia magna metabolite and an algal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a margarate.
이름 및 식별자
- 우선 이름
- Heptadecanoic Acid
- IUPAC
- heptadecanoic acid
- 영어명
- Heptadecanoic acid
- 분자식
- C17H34O2
- 분자량
- 0
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
506-12-7、63399-94-0、67701-03-5、68424-37-3- PubChem CID
- 10465
- DTXSID
DTXSID5021596- ChEMBL
CHEMBL1172910- ChEBI
CHEBI:32365- UNII
- V987Y9OZ8L
- EC Number
- 208-027-1、264-123-3
- Nikkaji
- J43.341A
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 190
실험 및 물리화학적 성질
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
Physical Description
Liquid; Other Solid
Solid; [Merck Index]
Solid
Collision Cross Section
173.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
173.41 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
173.49 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
170.78 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
172.8 Ų [M-H]-
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 57.1% (80 of 140) of all reports.
Warning
H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 140 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Heptadecanoic acid
Heptadecanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Heptadecanoic acid 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)
Restricted substance: Lead(2+) heptadecanoate
Heptadecanoic acid: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
약리 정보
용도 및 제조
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Heptadecanoic acid: ACTIVE
공급사50 곳
관련 반응
연결된 노트
불러오는 중…