2-Butenoic acid

HCID 19499CAS 107-93-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CC=CC(=O)O
InChIKey: LDHQCZJRKDOVOX-UHFFFAOYSA-N
分子式: C4H6O2
平均分子量: 86.09 g/mol
単同位体質量: 86.03677943

概要

2-butenoic acid has been reported in Daucus carota with data available.

名称と識別子

優先名称: 2-Butenoic acid
IUPAC: but-2-enoic acid

名称と別名

2-Butenoic acidDTXSID7027544DTXCID507544CHEBI:17217RefChem:1062626but-2-enoic acid503-64-0.alpha.-Crotonic acidCH3CH=CHCOOHFA 4:1UN 2823alpha-butenic acid

名称をさらに表示

Crotonic acid (NIST)SCHEMBL22034SCHEMBL23398SCHEMBL294338SCHEMBL1007083SCHEMBL7670830SCHEMBL7670833SCHEMBL7677233

データベース識別子

CAS: 107-93-7、3724-65-0
PubChem CID: 19499
DTXSID: DTXSID7027544
ChEMBL: CHEMBL3185203

物性

構造計算による物性

XLogP: 0.7
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: 1
重原子数: 6
形式電荷: 0
複雑度: 73.6

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]

CosmeticsStabilizing

SpringerMaterials PropertiesDensity

Solubility · 2 件

Slightly soluble in water

Soluble (in ethanol)

Physical Description · 2 件

Dry Powder

Off-white powder; Harsh, pungent, acrylic odour

安全と法規制

危険有害性情報

Regulatory Information · 3 件

Chemical: 2-Butenoic acid

2-Butenoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butenoic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Crotonic acid: Does not have an individual approval but may be used under an appropriate group standard