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3,5,5-Trimethylcyclohexanol

CAS 116-02-9C9H18OMW 142.14 g/mol

3,5,5-Trimethylcyclohexanol(CAS 116-02-9):分子式 C9H18O、分子量 142.14 g/mol。

产品概览

CAS号116-02-9
分子式C9H18O
分子量142.14 g/mol
熔点37.0 °C
沸点198 °C
LogP2.6

技术档案

这个产品是什么

3,5,5-Trimethylcyclohexanol 是一种化工化合物,登记 CAS 号为 116-02-9,分子式 C9H18O(分子量 142.14 g/mol)。

识别信息

登记 CAS 号:116-02-9

其分子式 C9H18O 由 9 个碳、18 个氢、1 个氧 组成。

别名/同义词:3,5,5-Trimethylcyclohexanol · 3,3,5-Trimethylcyclohexanol

常见问题

3,5,5-Trimethylcyclohexanol 的 CAS 号是多少?

3,5,5-Trimethylcyclohexanol 的 CAS 登记号为 116-02-9。

3,5,5-Trimethylcyclohexanol 的分子式与分子量是多少?

分子式 C9H18O,分子量 142.14 g/mol。

3,5,5-Trimethylcyclohexanol 还有哪些别名?

别名/同义词:3,5,5-Trimethylcyclohexanol、3,3,5-Trimethylcyclohexanol。

PubChem 公开数据

3,5,5-Trimethylcyclohexanol(CAS 116-02-9)的独立参考数据,整理自公开化学数据库。

各数据库的登记标识

CAS Registry Number116-02-9
PubChem CID8298
Molecular formulaC9H18O
Molecular weight142.14 g/mol
IUPAC name3,3,5-trimethylcyclohexan-1-ol
InChIKeyBRRVXFOKWJKTGG-UHFFFAOYSA-N
UNII (FDA)08CL3G94GH
ChEBI IDCHEBI:59065
FEMA number3962
JECFA number1099

计算分子描述符

Molecular Weight142.24
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass142.135765193
Monoisotopic Mass142.135765193
Topological Polar Surface Area20.2
Heavy Atom Count10

在册的理化数值

Boiling Point198 °C
Boiling Point80.00 °C. @ 20.00 mm Hg
Boiling Point193-196 °C
Melting Point37.0 °C
Melting Point30.00 to 34.00 °C. @ 760.00 mm Hg
Flash Point73.9 °C
Flash Point165 °F OC
Density0.878 @ 40 °C/20 °C
Vapor Density4.9 (AIR= 1)
Vapor Pressure0.1 [mmHg]

在册的记载用途

    Used as a menthol and camphor substitute, an antifoaming agent, an odor masking chemical, an esterification agent, and a wax additive; Also used in pharmaceuticals, printing inks, hydraulic fluids, and textile soaps; [Hawley]Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

    同义词与商品名

    3,3,5-TRIMETHYLCYCLOHEXANOL; 116-02-9; Homomenthol; Cyclonol; Cyclohexanol, 3,3,5-trimethyl-; Isophorol, dihydro-; 1-Methyl-3-dimethylcyclohexanol-5; 3,3,5-Trimethyl-1-cyclohexanol; 3,5,5-Trimethylcyclohexanol; DTXSID9041815; 08CL3G94GH; DTXCID7021815; CHEBI:59065; NSC-4008; RefChem:485183; 204-122-7

    已收录的法规名录

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    Mint, Cool

    GHS 危害分类

    Reported hazard statementsH315 (100%), H319 (97.5%), H412 (80.2%)

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

    H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

    公开数据库对它的描述

    3,5,5-Trimethylcyclohexanol is identified by CAS 116-02-9, molecular formula C9H18O and molecular weight 142.14 g/mol. UNII 08CL3G94GH; ChEBI 59065; InChIKey BRRVXFOKWJKTGG-UHFFFAOYSA-N. Boiling Point: 198 °C; Boiling Point: 80.00 °C. @ 20.00 mm Hg; Boiling Point: 193-196 °C.

    物理形态与操作说明

    数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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