CAS 106916-72-7 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate (HCID 2770196)

基本情報

CAS: 106916-72-7
標準SMILES: CC1CCC(C(C)C)C(OC(=O)CCl)C1
InChIKey: XHQPKRVACXDVNV-UHFFFAOYSA-N
分子式: C12H21ClO2
平均分子量: 232.74 g/mol

名称と識別子

優先名称: 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate
IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 2-chloroacetate
現地名: クロロ酢酸2-イソプロピル-5-メチルシクロヘキシル
英語名: 2-ISOPROPYL-5-METHYLCYCLOHEXYL CHLOROACETATE
分子式: C12H21ClO2
分子量: 232.75

名称と別名

106916-72-75-methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate2-ISOPROPYL-5-METHYLCYCLOHEXYL 2-CHLOROACETATEMenthyl 2-chloroacetate(5-methyl-2-propan-2-ylcyclohexyl) 2-chloroacetatementhyl chloroacetate(2-isopropyl-5-methyl-cyclohexyl) 2-chloroacetateChloro-acetic acid 2-isopropyl-5-methyl-cyclohexyl ester(-)-menthyl chloroacetateSCHEMBL474094XHQPKRVACXDVNV-UHFFFAOYSA-NGEA91672

名称をさらに表示

クロロ酢酸メンチルクロロ酢酸p-メンタン-3-イルクロロ酢酸2-イソプロピル-5-メチルシクロヘキシルChloroacetic acid menthyl esterChloroacetic acid p-menthan-3-yl ester2-ISOPROPYL-5-METHYLCYCLOHEXYL CHLOROACETATE5-Methyl-2-(1-methylethyl)cyclohexyl 2-chloroacetateAcetic acid, 2-chloro-, 5-methyl-2-(1-methylethyl)cyclohexyl ester

MFCD00040700STK041878AKOS000115098AKOS016352054CS-0218633ST45031445EN300-01569F74657

データベース識別子

CAS: 106916-72-7
PubChem CID: 2770196
EC Number: 172-256-2
Nikkaji: J22.830C

物性

構造計算による物性

XLogP: 4.2
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: 15
形式電荷: 0
複雑度: 216

物理化学的性質

CAS データベース: 106916 · 106916-72-7

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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.