3-Hexen-1-ol

HCID 10993CAS 544-12-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC=CCCO
InChIKey: UFLHIIWVXFIJGU-UHFFFAOYSA-N
分子式: C6H12O
平均分子量: 100.16 g/mol
単同位体質量: 100.088815

概要

3-Hexen-1-ol has been reported in Perilla frutescens, Artemisia princeps, and other organisms with data available.

名称と識別子

優先名称: 3-Hexen-1-ol
IUPAC: hex-3-en-1-ol

名称と別名

Hex-3-en-1-ol3-Hexen-1-ol544-12-7DTXSID3047217CHEBI:1457152PL1637OP6RefChem:911341DTXCID1027217208-860-0gamma-Hexenol(Z)-3-Hexen-1-oSCHEMBL96294

名称をさらに表示

SCHEMBL96295(E);-Hex-3-en-1-ol3-HEXEN-1-OL, TECHSCHEMBL3866804SCHEMBL6272941SCHEMBL7366787SCHEMBL16445265AKOS025243595

データベース識別子

CAS: 544-12-7
PubChem CID: 10993
DTXSID: DTXSID3047217
EC Number: 208-860-0

物性

構造計算による物性

XLogP: 1.3
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 7
形式電荷: 0
複雑度: 48.1

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

FragrancesFragrance Ingredient (3-Hexen-1-ol (isomer unspecified)) -> IFRA transparency List

Flavoring AgentsEU Flavoring substances

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (90.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 265 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 3-Hexen-1-ol

3-Hexen-1-ol: 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 CategoriesFlam. Liq. 3 (90.6%)