Cyclohexyl formate
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Basic information
- CAS
4351-54-6- Standard SMILES
O=COC1CCCCC1- InChIKey
VUXKVKAHWOVIDN-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- Cyclohexyl formate
- IUPAC
- cyclohexyl formate
- English name
- Cyclohexyl formate
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
CYCLOHEXYL FORMATEFormic acid, cyclohexyl esterCyclohexanol, formateFEMA No. 2353UNII-ESO2F2836UESO2F2836UEINECS 224-415-3NSC 11766Cyclohexyl ester of formic acidAI3-30436NSC-11766DTXSID2063426
Show more names
cyclohexyl methanoateFEMA 2353formicacidcyclohexylesterFormicacid,cyclohexylester
CYCLOHEXYL FORMATE [FHFI]Formic acid, cyclohexyl ester (purified)RefChem:129679DTXCID3040271224-415-3InChI=1/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5HVUXKVKAHWOVIDN-UHFFFAOYSA-N4351-54-6
Database identifiers
- CAS
4351-54-6- PubChem CID
- 20358
- DTXSID
DTXSID2063426- ChEBI
CHEBI:173489- UNII
- ESO2F2836U
- EC Number
- 224-415-3
- Nikkaji
- J100.653C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84
Physicochemical properties
- Melting point
- 72.6 · 72.6-73.8 °C
- Boiling point
- 162.5 °C · 162.5°C
- Density
- 1.0057 · 1.0057
- refractive index
- 1.443 · 1.4430
- FEMA
- 2353 · 2353 | CYCLOHEXYL FORMATE
- FLAVIS Number
- 9.16 · 09.160 | Cyclohexyl formate
- solubility
- Very slightly soluble in water, miscible with alcohol and oils
- color
- Colorless liquid
- Odor
- 100 % · at 100.00 %. ethereal cooling sweet fruity banana cherry jam
- Odor Type
- ethereal
- JECFA Number
- 1095 · 1095
- LogP
- 2.1 · 2.10
- Substances Added to Food (formerly EAFUS)
- CYCLOHEXYL FORMATE
- FDA 21 CFR
- 172.515 · 172.515
- FDA UNII
- 2 F2836U · ESO2F2836U
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
Chemistry & industry
Applications
UsesCyclohexyl Formate is a synthetic flavoring agent that is a moder- ately stable, colorless liquid of fruity odor. it should be stored in glass or tin containers. it is used in apple or plum flavors and gives a lift to fruity flavors. it has application in beverages, candy, ice cream, and baked goods at 3–11 ppm.
Preparation methods
PreparationFrom cyclohexyl alcohol and concentrated formic acid in the presence of sulfuric acid; by distilling the alcohol–acid mixture in the presence of excess acid.
Additional notes
DefinitionChEBI: Cyclohexyl formate is a carboxylic ester.
Suppliers
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Related reactions
3 records
Compound notes
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