2-히드록시옥타데칸산

2-Hydroxystearic acid

HCID 69417CAS 1330-70-7

기본 정보

표준 SMILES: CCCCCCCCCCCCCCCCC(O)C(=O)O
InChIKey: KIHBGTRZFAVZRV-UHFFFAOYSA-N
분자식: C18H36O3
평균 분자량: 300.5 g/mol
단동위원소 질량: 300.26644501

개요

2-hydroxyoctadecanoic acid is a long-chain fatty acid that is stearic (octadecanoic) acid substituted at position 2 by a hydroxy group. It has a role as a human metabolite. It is a 2-hydroxy fatty acid and a hydroxyoctadecanoic acid. It is a conjugate acid of a 2-hydroxyoctadecanoate.

이름 및 식별자

우선 이름: 2-Hydroxystearic acid
IUPAC: 2-hydroxyoctadecanoic acid
현지명: 2-히드록시옥타데칸산
영어명: 2-Hydroxyoctadecanoic acid
분자식: C18H36O3
분자량: 300.48

이름 및 동의어

2-Hydroxyoctadecanoic acid2-Hydroxystearic acid629-22-1alpha-Hydroxystearic acidOctadecanoic acid, 2-hydroxy-99EP4WX42OCHEBI:19660DTXSID70415248NSC-907alpha-hydroxyoctadecanoic acidRefChem:909952DTXCID30964045

이름 더 보기

2-히드록시옥타데칸산hydroxyoctadecanoic acid2-HYDROXY C18:0 ACID6-hydroxystearic acidA-HYDROXYSTEARIC ACID

688-468-81330-70-7dl-2-hydroxystearic acidOctadecanoic acid, hydroxy-MFCD000465262-hydroxy-octadecanoic acidDL-alpha-Hydroxystearic acid.alpha.-Hydroxystearic acid

데이터베이스 식별자

CAS: 1330-70-7、17773-30-7、629-22-1
PubChem CID: 69417
DTXSID: DTXSID70415248
ChEMBL: CHEMBL4562220
ChEBI: CHEBI:19660
UNII: 99EP4WX42O
EC Number: 688-468-8
Nikkaji: J95.427F

물성

구조 계산 물성

XLogP: 7.5
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 16
무거운 원자 수: 21
형식 전하: 0
복잡도: 229

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200]

Collision Cross Section180.4 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]

물리화학적 성질

저장 조건: Sealed in dry,Room Temperature
EPA: Octadecanoic acid, hydroxy- (1330-70-7)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Octadecanoic acid, hydroxy-

Status: Active Update: 21-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/32060

Octadecanoic acid, hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
tsca: TSCA listed
기존화학 물질: KE-20749

화학 및 산업

용도 및 제조

General Manufacturing InformationOctadecanoic acid, hydroxy-: ACTIVE

공급사50 곳

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

西安凯美科新材料有限公司13720451009 13720451009 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

연결된 노트

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