ヒドロキシオクタデカン酸

2-Hydroxystearic acid

HCID 69417CAS 1330-70-7

基本情報

標準SMILES: CCCCCCCCCCCCCCCCC(O)C(=O)O
InChIKey: KIHBGTRZFAVZRV-UHFFFAOYSA-N
分子式: C18H36O3
平均分子量: 300.5 g/mol
単同位体質量: 300.26644501

概要

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.

名称と識別子

優先名称: 2-Hydroxystearic acid
IUPAC: 2-hydroxyoctadecanoic acid
現地名: ヒドロキシオクタデカン酸
英語名: 2-Hydroxyoctadecanoic acid
分子式: C18H36O3
分子量: 300.48

名称と別名

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

名称をさらに表示

ヒドロキシオクタデカン酸hydroxyoctadecanoic 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

データベース識別子

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

物性

構造計算による物性

XLogP: 7.5
極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 16
重原子数: 21
形式電荷: 0
複雑度: 229

実験および物理化学的性質

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]

物理化学的性質

貯蔵温度: Sealed in dry,Room Temperature
EPAの化学物質情報: Octadecanoic acid, hydroxy- (1330-70-7)

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

Regulatory Information · 3 件

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

安全データ

wgk: 3
tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing InformationOctadecanoic acid, hydroxy-: ACTIVE

サプライヤー50 社

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]

補足説明

定義本品は、次の化学式で表される脂肪酸である。