4-Methoxy-2-methyl-4-oxobutanoic acid

HCID 4563901

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 23268-03-3
標準SMILES: COC(=O)CC(C)C(=O)O
InChIKey: UVQYBUYGFBXQGO-UHFFFAOYSA-N
分子式: C6H10O4
平均分子量: 146.14 g/mol
単同位体質量: 146.0579088

名称と識別子

優先名称: 4-Methoxy-2-methyl-4-oxobutanoic acid
IUPAC: 4-methoxy-2-methyl-4-oxobutanoic acid

名称と別名

4-methoxy-2-methyl-4-oxobutanoic acidRefChem:524536816-977-9SCHEMBL1966537SCHEMBL6044695UVQYBUYGFBXQGO-UHFFFAOYSA-NMFCD191598584-methoxy-2-methyl-4-oxobutanoicacidAKOS000279138AKOS022634218SB454704-Methoxy-2-methyl-4-oxo-butyric acid

名称をさらに表示

3-methoxycarbonyl-2-methylpropanoic acid3-methoxycarbonyl-2-methylpropionic acid4-methoxy-2-methyl-4-oxo-butanoic acidSY1412413-(Methoxycarbonyl)-2-methylpropanoic acidDB-182865EN300-106540G32305

データベース識別子

CAS: 23268-03-3
PubChem CID: 4563901
EC Number: 816-977-9
Nikkaji: J1.266.482F

物性

構造計算による物性

XLogP: 0.1
極性表面積: 63.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 10
形式電荷: 0
複雑度: 141

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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.