3,5,5-Trimethylcyclohexanol

Name: 3,5,5-Trimethylcyclohexanol
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160088

CAS 116-02-9C9H18OMW 142.14 g/mol

3,5,5-Trimethylcyclohexanol (CAS 116-02-9) — formula C9H18O, molecular weight 142.14 g/mol.

Specifications

CAS Number116-02-9

Molecular FormulaC9H18O

Molecular Weight142.14 g/mol

Melting Point37.0 °C

Boiling Point198 °C

LogP2.6

Purchase Profile

What this product is

3,5,5-Trimethylcyclohexanol is a chemical compound with CAS registry number 116-02-9 and molecular formula C9H18O (molecular weight 142.14 g/mol).

Identification

CAS number: 116-02-9

Its molecular formula C9H18O comprises 9 C, 18 H, 1 O atoms.

Also known as: 3,5,5-Trimethylcyclohexanol · 3,3,5-Trimethylcyclohexanol

Frequently Asked Questions

What is the CAS number of 3,5,5-Trimethylcyclohexanol?

The CAS registry number of 3,5,5-Trimethylcyclohexanol is 116-02-9.

What is the molecular formula and molecular weight of 3,5,5-Trimethylcyclohexanol?

Molecular formula C9H18O, molecular weight 142.14 g/mol.

What other names is 3,5,5-Trimethylcyclohexanol known by?

It is also registered under: 3,5,5-Trimethylcyclohexanol, 3,3,5-Trimethylcyclohexanol.

PubChem Public Data

Public-database records for 3,5,5-Trimethylcyclohexanol (CAS 116-02-9), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statements	H315 (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]

Regulatory listings

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

Physical description and handling notes

Liquid; Other Solid
Colorless liquid; [Hawley] May be supercooled liquid; [MSDSonline]
Solid
Colourless crystals; menthol-like camphorous odour
LIQ
SLIGHTLY SOL IN WATER

Reported physical properties

沸点	198 °C
沸点	80.00 °C. @ 20.00 mm Hg
沸点	193-196 °C
熔点	37.0 °C
熔点	30.00 to 34.00 °C. @ 760.00 mm Hg
闪点	73.9 °C
闪点	165 °F OC
密度	0.878 @ 40 °C/20 °C
Vapor 密度	4.9 (AIR= 1)
蒸气压	0.1 [mmHg]

How this substance is indexed

CAS Registry Number	116-02-9
PubChem CID	8298
分子式	C9H18O
分子量	142.14 g/mol
IUPAC 名称	3,3,5-trimethylcyclohexan-1-ol
InChIKey	BRRVXFOKWJKTGG-UHFFFAOYSA-N
UNII（FDA）	08CL3G94GH
ChEBI 编号	CHEBI:59065
FEMA 编号	3962
JECFA 编号	1099

Documented uses

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]
MENTHOL & CAMPHOR SUBSTITUTE; ANTIFOAMING AGENT; HYDRAULIC FLUIDS & TEXTILE SOAPS; PHARMACEUTICALS; WAX ADDITIVE, ESTERIFICATION AGENT, PRINTING INK
Flavoring Agents -> JECFA Flavorings Index
2023: 1,000,000 - <2,500,000 lb
2022: 4,000,000 - <5,500,000 lb

Names this substance appears under

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

Computed molecular descriptors

分子量	142.24
XLogP3	2.6
氢键供体数	1
氢键受体数	1
可旋转键数	0
精确质量	142.135765193
单同位素质量	142.135765193
拓扑极性表面积	20.2
重原子数	10
形式电荷	0

Database abstract

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. 沸点: 198 °C; 沸点: 80.00 °C. @ 20.00 mm Hg; 沸点: 193-196 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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