3,3,5-trimethylcyclohexyl acetate

CAS 67859-96-5C11H20O2MW 184.27

3,3,5-trimethylcyclohexyl acetate (CAS 67859-96-5) — formula C11H20O2, molecular weight 184.27; category organic chemicals.

Product Overview

CAS Number	67859-96-5
Molecular Formula	C11H20O2
Molecular Weight	184.27
Boiling Point	108-110 °C (13 mm Hg)
LogP	3.2
Applications	Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Consumer Uses: Fragrance, U.S. Production: 2023: <50, 000 lb, 2022: <50, 2021: <50, 2020: <50, General Manufacturing Information: Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Cyclohexanol, 3, 5-trimethyl-, 1-acetate: ACTIVE
Category	Organic Chemicals

Applications

Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Consumer Uses: Fragrance, U.S. Production: 2023: <50, 000 lb, 2022: <50, 2021: <50, 2020: <50, General Manufacturing Information: Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Cyclohexanol, 3, 5-trimethyl-, 1-acetate: ACTIVE.

Technical Profile

What this product is

3,3,5-trimethylcyclohexyl acetate is a carbon-based organic compound with CAS registry number 67859-96-5 and molecular formula C11H20O2 (molecular weight 184.27), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 67859-96-5

Its molecular formula C11H20O2 comprises 11 C, 20 H, 2 O atoms.

Also known as: 3,3,5-trimethylcyclohexyl acetate · 乙酸3,3,5-三甲基环己酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 3,3,5-trimethylcyclohexyl acetate?

The CAS registry number of 3,3,5-trimethylcyclohexyl acetate is 67859-96-5.

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

Molecular formula C11H20O2, molecular weight 184.27.

What other names is 3,3,5-trimethylcyclohexyl acetate known by?

It is also registered under: 3,3,5-trimethylcyclohexyl acetate, 乙酸3,3,5-三甲基环己酯.

What are the documented applications of 3,3,5-trimethylcyclohexyl acetate?

Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Consumer Uses: Fragrance, U.S. Production: 2023: <50, 000 lb, 2022: <50, 2021: <50, 2020: <50, General Manufacturing Information: Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Cyclohexanol, 3, 5-trimethyl-, 1-acetate: ACTIVE.

Which category does 3,3,5-trimethylcyclohexyl acetate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 3,3,5-trimethylcyclohexyl acetate (CAS 67859-96-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number	67859-96-5
PubChem CID	106917
Molecular formula	C11H20O2
IUPAC name	(3,3,5-trimethylcyclohexyl) acetate
UNII (FDA)	QDX18ED83B
FEMA number	4512
JECFA number	1099

Computed descriptors

Molecular Weight	184.27
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	184.146329876
Monoisotopic Mass	184.146329876
Topological Polar Surface Area	26.3
Heavy Atom Count	13

Physicochemical values on record

Boiling Point	108-110 °C (13 mm Hg)
Density	0.913-0.924 (20 °C)
Refractive Index	1.437-1.445

Documented uses on record

Synonyms and trade names

3,3,5-Trimethylcyclohexyl acetate; 67859-96-5; Homomenthyl acetate; 3,3,5-Trimethylcyclohexanol acetate; Cyclohexanol, 3,3,5-trimethyl-, acetate; UNII-QDX18ED83B; Cyclohexanol, 3,3,5-trimethyl-, 1-acetate; QDX18ED83B; 3,3,5-Trimethylcyclohexylacetate; EINECS 267-430-0; HOMOMENTHOL ACETATE; FEMA NO. 4512; DTXSID30867365; RefChem:90757; DTXCID60815556; (+-)-3,3,5-TRIMETHYLCYCLOHEXYL ACETATE

Regulatory listings held on file

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Mint, Cool 1-METHYL-3,3-DIMETHYL CYCLOHEXAN-5-OL No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	80.6% (104 / 129)

GHS hazard classification

GHS notification summary	80.6% (104 / 129)
Reported hazard statements	H411 (19.4%)

This chemical does not meet GHS hazard criteria for 80.6% (104 of 129) of all reports.

H411 (19.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

What the public record says

3,3,5-trimethylcyclohexyl acetate · CAS 67859-96-5 · C11H20O2. UNII QDX18ED83B. Boiling Point: 108-110 °C (13 mm Hg); Density: 0.913-0.924 (20 °C); Refractive Index: 1.437-1.445.

Physical description and handling notes

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

3,3,5-trimethylcyclohexyl acetate

Product Overview

Applications

Technical Profile

What this product is

Identification

Frequently Asked Questions

PubChem Public Data

Registry identifiers across databases

Computed descriptors

Physicochemical values on record

Documented uses on record

Synonyms and trade names

Regulatory listings held on file

GHS hazard classification

What the public record says

Physical description and handling notes

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