9-Octadecenoic Acid

HCID 965CAS 2027-47-6

基本情報

標準SMILES: CCCCCCCCC=CCCCCCCCC(=O)O
InChIKey: ZQPPMHVWECSIRJ-UHFFFAOYSA-N
分子式: C18H34O2
平均分子量: 282.5 g/mol
単同位体質量: 282.25588033

概要

octadec-9-enoic acid has been reported in Pongamia pinnata var. pinnata, Arisaema tortuosum, and other organisms with data available.

名称と識別子

優先名称: 9-Octadecenoic Acid
IUPAC: octadec-9-enoic acid

名称と別名

9-octadecenoic acidOctadec-9-enoic acid2027-47-6DTXSID7048118CHEBI:36021RefChem:1075027DTXCID4028090217-977-6odorlessMangroven-Octadec-9-ensaureOleic acid-ul-13C18

名称をさらに表示

Oleic acid-9,10-d2NCIMech_000314SCHEMBL1139NCIOpen2_008144Oleic Acid_GurudeebanSatyavaniorb1222857SCHEMBL6344575287100-82-7

データベース識別子

CAS: 2027-47-6、287100-82-7
PubChem CID: 965
DTXSID: DTXSID7048118
EC Number: 217-977-6、806-406-1

物性

構造計算による物性

XLogP: 6.5
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: 15
重原子数: 20
形式電荷: 0
複雑度: 234

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.

Not Classified

Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

危険有害性情報

Regulatory Information9-Octadecenoic 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.

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)

Not Classified