아이소헥사데칸산

14-Methylpentadecanoic acid

HCID 36247CAS 32844-67-0

기본 정보

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 물성

XLogP: 6.1
극성 표면적: 37.3 Å²
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 · 2건

Other Solid

Solid

물리화학적 성질

LogP: 6.655 · 6.655 (est)
EPA: Isohexadecanoic acid (32844-67-0)

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 3건

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 · 2건

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 · 2건

Paper Manufacturing

Isohexadecanoic acid: ACTIVE

공급사19 곳

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

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