아이소헥사데칸산
14-Methylpentadecanoic acid
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기본 정보
- CAS
32844-67-0- 표준 SMILES
CC(C)CCCCCCCCCCCCC(=O)O- InChIKey
ZONJATNKKGGVSU-UHFFFAOYSA-N- 분자식
- C16H32O2
- 평균 분자량
- 256.42 g/mol
- 단동위원소 질량
- 256.24023026
개요
14-methylpentadecanoic acid is a methyl-branched fatty acid that is pentadecanoic acid substituted by a methyl group at position 14. It is a biomarker for rheumatoid arthritis. It has a role as a biomarker and a mammalian metabolite. It is a fatty acid 16:0, a long-chain fatty acid, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is functionally related to a pentadecanoic acid. It is a conjugate acid of a 14-methylpentadecanoate.
이름 및 식별자
- 우선 이름
- 14-Methylpentadecanoic acid
- IUPAC
- 14-methylpentadecanoic acid
- 현지명
- 아이소헥사데칸산
- 영어명
- isohexadecanoic acid
- 분자식
- C16H32O2
- 분자량
- 256.42408
이름 및 동의어
14-Methylpentadecanoic acidISOPALMITIC ACIDIsohexadecanoic acid32844-67-0Pentadecanoic acid, 14-methyl-IHU3LRR6SX14-methyl-pentadecanoic acidUNII-IHU3LRR6SXEINECS 251-256-7CHEBI:84890isopalmitateRefChem:78680
이름 더 보기
아이소헥사데칸산아이소헥사데칸산(ISOHEXADECANOICACID)이소헥사데칸산
Iso-C16:0DTXCID0038590DTXSID9067726FA(i-16:0)251-256-7636-922-0ZONJATNKKGGVSU-UHFFFAOYSA-N4669-02-7
데이터베이스 식별자
- CAS
32844-67-0、4669-02-7- PubChem CID
- 36247
- DTXSID
DTXSID9067726- ChEBI
CHEBI:84890- UNII
- IHU3LRR6SX
- EC Number
- 251-256-7、636-922-0
- Nikkaji
- J397.595I
물성
구조 계산 물성보충 중
- XLogP
- 6.1
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 188
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Melting Point61.8 - 62.4 °C
Physical Description
Other Solid
Solid
물리화학적 성질
- LogP
- 6.655 · 6.655 (est)
- EPA
- Isohexadecanoic acid (32844-67-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H315 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
유해성 정보
Regulatory Information
Chemical: Pentadecanoic acid, 14-methyl-
Isohexadecanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isohexadecanoic 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)
Isohexadecanoic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories
Skin Irrit. 2 (97.5%)
Not Classified
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-21520
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesLubricating agent
General Manufacturing Information
Paper Manufacturing
Isohexadecanoic acid: ACTIVE
관련 반응
5건
화합물 노트
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