Methyl 3-cyclopropyl-3-methylbutanoate

HCID 18625543

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 486394-55-2
標準SMILES: COC(=O)CC(C)(C)C1CC1
InChIKey: VLAPDKFWDLHLKN-UHFFFAOYSA-N
分子式: C9H16O2
平均分子量: 156.22 g/mol
単同位体質量: 156.11502975

名称と識別子

優先名称: Methyl 3-cyclopropyl-3-methylbutanoate
IUPAC: methyl 3-cyclopropyl-3-methylbutanoate

名称と別名

methyl 3-cyclopropyl-3-methylbutanoate486394-55-2RefChem:815425966-768-2methyl3-cyclopropyl-3-methylbutanoateSCHEMBL7112401VLAPDKFWDLHLKN-UHFFFAOYSA-NEN300-210817

データベース識別子

CAS: 486394-55-2
PubChem CID: 18625543
EC Number: 966-768-2

物性

構造計算による物性

XLogP: 2.4
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 11
形式電荷: 0
複雑度: 157

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.