HCID85811

2-Methylcyclohexanecarboxylic acid

2-methylcyclohexane-1-carboxylic acid

C8H14O2142.2 g/molCAS 15177-62-5

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IDENTITY

结构与身份

标准SMILES: CC1CCCCC1C(=O)O
InChIKey: VSKXJRZPVDLHFY-UHFFFAOYSA-N
分子式: C8H14O2
平均分子量: 142.2 g/mol
单同位素质量: 142.09937969

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 131

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Eye Dam. 1 (100%)

ALIASES

名称与别名

共 34 条

56586-13-12-Methylcyclohexanecarboxylic acidCyclohexanecarboxylic acid, 2-methyl-2-Methyl-2-cyclohexanoic acidEINECS 260-272-3AI3-21681RefChem:476018260-272-32-Methyl-1-cyclohexanecarboxylic acid2-methylcyclohexane-1-carboxylic acidMFCD000749072-Methylcyclohexanecarboxylic Acid;EINECS 239-227-7trans-2-Methylcyclohexanecarboxylic acidAI3-33905SCHEMBL301766SCHEMBL5397325SCHEMBL87900932-MethylcyclohexanecarboxylicacidSCHEMBL15415817

REACTIONS