9,12-Octadecadienoic Acid

HCID 3931CAS 2197-37-7

基本情報

標準SMILES: CCCCCC=CCC=CCCCCCCCC(=O)O
InChIKey: OYHQOLUKZRVURQ-UHFFFAOYSA-N
分子式: C18H32O2
平均分子量: 280.4 g/mol
単同位体質量: 280.24023026

概要

octadeca-9,12-dienoic acid has been reported in Arisaema tortuosum, Humulus lupulus, and other organisms with data available.

名称と識別子

優先名称: 9,12-Octadecadienoic Acid
IUPAC: octadeca-9,12-dienoic acid

名称と別名

9,12-Octadecadienoic acid2197-37-7DTXSID20750599,12-Octadecadienoic acid (VAN)RefChem:107555DTXCID8036578606-872-4octadeca-9,12-dienoic acidCis-octadecyl-2,9-diene85594-37-28024-22-4cis-9-cis-12-Octadecadienoic acid

名称をさらに表示

Linoleic acid- 99%9,12-octadecadienic acidCBiol_001994KBioGR_000094KBioSS_000094SCHEMBL156809orb1221980SCHEMBL6352539

データベース識別子

CAS: 2197-37-7、8024-22-4、85594-37-2
PubChem CID: 3931
DTXSID: DTXSID2075059
EC Number: 287-896-9、606-872-4、617-024-8

物性

構造計算による物性

XLogP: 6.8
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 14
重原子数: 20
形式電荷: 0
複雑度: 267

実験および物理化学的性質

CosmeticsEmollient

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 82.5% (175 of 212) of all reports.

Warning

H226 (17%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 212 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: 9,12-Octadecadienoic acid

Chemical: Grape seed oil

Grapeseed oil: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 件

IMAP assessments - 9,12-Octadecadienoic acid: Environment tier I assessment

IMAP assessments - Oils, grape: Environment tier I assessment

EPA Safer ChemicalChemical: Grape seed oil

Hazard Classes and CategoriesFlam. Liq. 3 (17%)

化学と産業

用途と製造

Household Products · 2 件

Information on 8 consumer products that contain Vitus Vinifera (Grape) Seed Oil in the following categories is provided:

Information on 8 consumer products that contain Grape, ext. in the following categories is provided:

Use Classification · 3 件

EPA Safer Chemical Functional Use Classes -> Skin Conditioning Agents

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Cosmetics -> Emollient