3,3,5-三甲基环己醇

Description

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.

Identification

CAS Registry Number	116-02-9
PubChem CID	8298
Molecular formula	C9H18O
Molecular weight	142.14 g/mol
IUPAC name	3,3,5-trimethylcyclohexan-1-ol
InChIKey	BRRVXFOKWJKTGG-UHFFFAOYSA-N
UNII (FDA)	08CL3G94GH
ChEBI ID	CHEBI:59065
FEMA number	3962
JECFA number	1099

Computed Descriptors

Molecular Weight	142.24
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	142.135765193
Monoisotopic Mass	142.135765193
Topological Polar Surface Area	20.2
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	198 °C
Boiling Point	80.00 °C. @ 20.00 mm Hg
Boiling Point	193-196 °C
Melting Point	37.0 °C
Melting Point	30.00 to 34.00 °C. @ 760.00 mm Hg
Flash Point	73.9 °C
Flash Point	165 °F OC
Density	0.878 @ 40 °C/20 °C
Vapor Density	4.9 (AIR= 1)
Vapor Pressure	0.1 [mmHg]

Physical description & 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

Regulatory Status

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

GHS Hazard Classification

Reported hazard statements	H315 (100%), H319 (97.5%), H412 (80.2%)

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

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of 3,5,5-Trimethylcyclohexanol?

CAS 116-02-9; molecular formula C9H18O; molecular weight 142.14 g/mol.

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

3,3,5-TRIMETHYLCYCLOHEXANOL, 116-02-9, Homomenthol, Cyclonol, Cyclohexanol, 3,3,5-trimethyl-, Isophorol, dihydro-.

What is the regulatory status of 3,5,5-Trimethylcyclohexanol?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is 3,5,5-Trimethylcyclohexanol classified as hazardous?

Hazard statements reported: H315, H319, H412.

What are the key physical properties of 3,5,5-Trimethylcyclohexanol?

Boiling Point: 198 °C; Boiling Point: 80.00 °C. @ 20.00 mm Hg; Boiling Point: 193-196 °C; Melting Point: 37.0 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.