Basic information
- CAS
52789-73-8- Standard SMILES
CC(=O)OC1(C(C)=O)CCCCC1- InChIKey
GIFAYASOTQVRTG-UHFFFAOYSA-N- Molecular formula
- C10H16O3
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.10994437
Overview
1-Acetylcyclohexyl acetate is a ketone and a carboxylic ester.
Names & identifiers
- Preferred name
- Methyl 1-acetoxycyclohexyl ketone
- IUPAC
- (1-acetylcyclohexyl) acetate
- English name
- 1-acetylcyclohexyl acetate
- Molecular formula
- C10H16O3
- Molecular weight
- 184.23
Names & synonyms
1-Acetylcyclohexyl acetate52789-73-8Methyl 1-acetoxycyclohexyl ketone1-Acetoxy-1-acetylcyclohexane1-Acetoxycyclohexyl methyl ketone1-acetyl cyclohexyl acetateFEMA No. 37011-Hydroxycyclohexyl methyl ketone acetateKetone, 1-hydroxycyclohexyl methyl, acetate1-(1-(Acetyloxy)cyclohexyl)ethanoneUNII-987IZ840TA987IZ840TA
Show more names
METHYL1-ACETOXYCYCLOHEXYLKETONEEthanone, 1-1-(acetyloxy)cyclohexyl-
EINECS 258-186-6DTXSID102007711-[1-(Acetyloxy)cyclohexyl]ethanoneMETHYL 1-ACETOXYCYCLOHEXYL KETONE [FHFI]RefChem:157142DTXCID40123262(1-acetylcyclohexyl) acetateEthanone, 1-(1-(acetyloxy)cyclohexyl)-
Database identifiers
- CAS
52789-73-8- PubChem CID
- 62017
- DTXSID
DTXSID10200771- ChEBI
CHEBI:169562- UNII
- 987IZ840TA
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.04
Solubility
slightly
slightly soluble in water, soluble in alcohols and oils
(in ethanol)
Boiling Point
67.00 °C. @ 3.00 mm Hg
67 °C (3 mm Hg)
Refractive Index1.46
Physical Descriptioncolourless, oily liquid with a sweet fruity, floral, honey odour
Physicochemical properties
- Boiling point
- 84 · 84-86 °C(Press: 2.5 Torr)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- FEMA
- 3701 · 3701 | METHYL 1-ACETOXYCYCLOHEXYL KETONE
- Odor
- 100 % · at 100.00 %. sweet fruity floral honey fig rose nutty
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-[1-(acetyloxy)cyclohexyl]-
Ethanone, 1-1-(acetyloxy)cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
DescriptionMethyl 1-acetoxycyclohexyl ketone has a sweet, fruity, floral, honey odor.
Suppliers3 total
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 1-Acetylcyclohexyl acetate is a ketone and a carboxylic ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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