Basic information
- CAS
21722-83-8- Standard SMILES
CC(=O)OCCC1CCCCC1- InChIKey
NOTFZGFABLVTIG-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Overview
Cyclohexylethyl acetate is a carboxylic ester.
Names & identifiers
- Preferred name
- Cyclohexaneethyl acetate
- IUPAC
- 2-cyclohexylethyl acetate
- English name
- FEMA 2348
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
2-Cyclohexylethyl acetateCyclohexylethyl acetate21722-83-8Cyclohexaneethyl acetateCyclohexaneethanol, acetateEthylcyclohexyl acetateHexahydrophenethyl acetateHexahydrophenyl ethyl acetateCyclohexane ethyl acetateCyclohexaneethanol, 1-acetateACETIC ACID, CYCLOHEXYLETHYL ESTERFEMA No. 2348
Show more names
CYCLOHEXYL ETHYL ACETATEFEMA 2348FEMA 2348 USP/EP/BPCYCLOHEXYLETHYLACETAT2-CyclohexylethylacetatCYCLOHEXANETHANYL ACETATECYCLOHEXYLETHANOL ACETATECyclohexaneethanolacetate
Cyclohexaneethanol acetateDTXSID304718815W91S5XTZNOTFZGFABLVTIG-UHFFFAOYSA-EINECS 244-543-3BRN 2244135AI3-17442DTXCID1027188
Database identifiers
- CAS
21722-83-8- PubChem CID
- 30771
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 137
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Cyclohexaneethyl acetate) -> IFRA transparency List
LogP3.510
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.945-0.948
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
222.00 °C. @ 760.00 mm Hg
211 °C (766 mm Hg)
Refractive Index1.442-1.450
Physical DescriptionColourless oily liquid; powerful, sweet-fruity odour of considerable tenacity.
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 97.6% (1529 of 1566) of all reports.
Not Classified
Aggregated GHS information provided per 1566 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Cyclohexaneethanol, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-cyclohexylethyl acetate (EC: 244-543-3)
Cyclohexaneethanol, acetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- AG5095000
- Toxicity
- The acute oral LD50 value in rats was reported as 3.2 g/kg and the acute dermal LD50 value in rabbits as 5 g/kg (Wohl, 1974).
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Household ProductsInformation on 3 consumer products that contain Cyclohexaneethyl acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationCyclohexaneethanol, 1-acetate: ACTIVE
Applications
OccurrenceReported found in beli (Aegle marmelos Correa) and passion fruit juice.
Preparation methods
PreparationFrom the corresponding alcohol by acetylation with sodium acetate in acetic acid solution.
Suppliers18 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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