4,4-二甲基环己-1-醇

Cyclohexanol, 4,4-dimethyl-

HCID 136735CAS 932-01-4

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基本信息

标准SMILES: CC1(C)CCC(O)CC1
InChIKey: VUQOIZPFYIVUKD-UHFFFAOYSA-N
分子式: C8H16O
平均分子量: 128.21 g/mol
单同位素质量: 128.12011513

名称与标识

首选名称: Cyclohexanol, 4,4-dimethyl-
IUPAC: 4,4-dimethylcyclohexan-1-ol
中文名: 4,4-二甲基环己-1-醇
英文名: 4,4-Dimethylcyclohexan-1-ol
分子式: C8H16O
分子量: 128.21

名称与别名

932-01-44,4-dimethylcyclohexan-1-olCyclohexanol, 4,4-dimethyl-DTXSID70239320RefChem:580667DTXCID90161811800-888-74,4-dimethylcyclohexanolMFCD001019544,4-dimethyl-cyclohexanol44-DimethylcyclohexanolCyclohexanol, dimethyl-

展开更多名称

4,4-二甲基环己-1-醇

Cyclohexanol,4,4-dimethyl-SCHEMBL43449orb3029890SCHEMBL1006972SCHEMBL28048366SCHEMBL28048382VUQOIZPFYIVUKD-UHFFFAOYSA-NFr16613

数据库标识

CAS: 932-01-4
PubChem CID: 136735
DTXSID: DTXSID70239320
EC Number: 800-888-7
Nikkaji: J1.912.683H

性质

结构计算性质

XLogP: 2
极性表面积: 20.2 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 86.7

物理化学性质

熔点: 28 °C · 28 °C
沸点: 186.05 °C · 186.05°C
密度: 0.925 · 0.9250
折射率: 1.4613 · 1.4613
储存条件: 2 · 2-8°C
形态: solid
酸度系数(pKa): 15.33 · 15.33±0.40(Predicted)
颜色: White
LogP: 2.37 · 2.370 (est)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.