2-히드록시옥타데칸산
2-Hydroxystearic acid
기본 정보
- CAS
1330-70-7- 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 Ų
- 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 Ų [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
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 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
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
관련 반응
12건
화합물 노트
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