CAS 66405-41-2 Methyl 2-(4-oxocyclohexyl)acetate (HCID 21249113)

基本情報

CAS: 66405-41-2
標準SMILES: COC(=O)CC1CCC(=O)CC1
InChIKey: AEZHUDXZHNLVKG-UHFFFAOYSA-N
分子式: C9H14O3
平均分子量: 170.21 g/mol
単同位体質量: 170.09429431

名称と識別子

優先名称: Methyl 2-(4-oxocyclohexyl)acetate
IUPAC: methyl 2-(4-oxocyclohexyl)acetate
現地名: (4-オキソシクロヘキシル)酢酸メチル
英語名: (4-Oxo-cyclohexyl)-acetic acid methyl ester
分子式: C9H14O3
分子量: 170.21

名称と別名

methyl 2-(4-oxocyclohexyl)acetateRefChem:813528887-565-466405-41-2Methyl (4-oxocyclohexyl)acetate(4-OXO-CYCLOHEXYL)-ACETIC ACID METHYL ESTERMFCD09031995SCHEMBL337416Cyclohexaneacetic acid, 4-oxo-, methyl esterDTXSID9061160966405-41-2, Methyl (4-oxocyclohexyl)acetate, (4-OXO-CYCLOHEXYL)-ACETIC ACID METHYL ESTER, AG-G-50613, SureCN337416, CTK5C4624, MolPort-005-939-268, methyl 2-(4-oxocyclohexyl)acetate, ANW-72277, ZINC21994757, AKOS006291097, AK-44997, KB-86679methyl2-(4-oxocyclohexyl)acetate

名称をさらに表示

(4-オキソシクロヘキシル)酢酸メチル(4-OXOCYCLOHEXYL)ACETIC ACIDMETHYL 2 -(4-OXOCYCLOHEXYL)-ACETATE 97%

AEZHUDXZHNLVKG-UHFFFAOYSA-NAB97744-(methoxycarbonylmethyl)cyclohexanoneAKOS006291097CS-W006286SB38200DS-13456SY102798

データベース識別子

CAS: 66405-41-2
PubChem CID: 21249113
DTXSID: DTXSID90611609
EC Number: 887-565-4
Nikkaji: J3.389.774J

物性

構造計算による物性

XLogP: 0.5
極性表面積: 43.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 176

物理化学的性質

貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.