4-Methyl-2-methylene valeric acid

HCID 168659CAS 25044-10-4

基本情報

標準SMILES: C=C(CC(C)C)C(=O)O
InChIKey: XQIHFGYUMFFCFG-UHFFFAOYSA-N
分子式: C7H12O2
平均分子量: 128.17 g/mol
単同位体質量: 128.08372962

名称と識別子

優先名称: 4-Methyl-2-methylene valeric acid
IUPAC: 4-methyl-2-methylidenepentanoic acid
英語名: 4-methyl-2-methylene valeric acid
分子式: C7H12O2
分子量: 128.17

名称と別名

25044-10-44-Methyl-2-methylene valeric acidPentanoic acid, 4-methyl-2-methylene-DTXSID20179747RefChem:99731DTXCID801022384-methyl-2-methylidenepentanoic acid4-methyl-2-methylenepentanoic acidMFCD00797959isobutylacrylic acid4-Methyl-2-methylenevalerateisobutyl acrylic acid

名称をさらに表示

Pentanoic acid,4-methyl-2-methylene-2-isobutylacrylic acidSCHEMBL21715SCHEMBL18606075XQIHFGYUMFFCFG-UHFFFAOYSA-N4-methyl-2-methylidenepentanoicacidABA044104-methyl-2-methylene-pentanoic acid

データベース識別子

CAS: 25044-10-4
PubChem CID: 168659
DTXSID: DTXSID20179747
EC Number: 826-819-0

物性

構造計算による物性

XLogP: 2
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: 3
重原子数: 9
形式電荷: 0
複雑度: 125

物理化学的性質

沸点: 118 · 118-120℃
LogP: 1.94 · 1.940 (est)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.