2-Buten-1-ol

HCID 20024CAS 6117-91-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CC=CCO
InChIKey: WCASXYBKJHWFMY-UHFFFAOYSA-N
分子式: C4H8O
平均分子量: 72.11 g/mol
単同位体質量: 72.05751488

概要

RN given refers to cpd without isomeric designation

名称と識別子

優先名称: 2-Buten-1-ol
IUPAC: but-2-en-1-ol

名称と別名

but-2-en-1-ol2-Buten-1-ol6117-91-5Crotonyl alcoholDTXSID2052283crotonolDTXCID2030855RefChem:406276(E)-2-Buten-1-ol2-Butenol2-BUTENE-1-OL2-Butenyl alcohol

名称をさらに表示

3-Methylallyl alcoholKrotylalkohol [Czech]Crotyl alcohol (VAN)Crotonyl alcohol (VAN)UNII-D7F26UNN0BEINECS 228-086-7BRN 1719374AI3-14902

データベース識別子

CAS: 6117-91-5
PubChem CID: 20024
DTXSID: DTXSID2052283
EC Number: 228-086-7
Nikkaji: J2.040.004H

物性

構造計算による物性

XLogP: 0.4
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: 1
重原子数: 5
形式電荷: 0
複雑度: 30.6

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesCoriolis coupling

Physical DescriptionClear light yellow liquid; [Acros Organics MSDS]

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P302+P352, P303+P361+P353, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 237 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 2-Buten-1-ol

Crotyl alcohol: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazards SummaryAn irritant; Harmful by ingestion, inhalation, and skin absorption; [Acros Organics MSDS] See 4-Hexen-1-ol and 3-Methyl-2-buten-1-ol.

Hazard Classes and Categories · 2 件

Flam. Liq. 3 (100%)

Flammable agents - 3rd degree