Basic information
- CAS
6222-35-1- Standard SMILES
CCC(=O)OC1CCCCC1- InChIKey
MAMMVUWCKMOLSG-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Overview
Cyclohexyl propionate is a carboxylic ester.
Names & identifiers
- Preferred name
- Cyclohexyl propionate
- IUPAC
- cyclohexyl propanoate
- English name
- Cyclohexyl propionate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
CYCLOHEXYL PROPIONATE6222-35-1Cyclohexyl propanoatePropanoic acid, cyclohexyl esterPropionic acid, cyclohexyl esterAI3-17708Cyclohexyl n-propionateFEMA No. 2354UNII-7697L79NDU7697L79NDUEINECS 228-303-5NSC-11770
Show more names
AI317708AI3 17708FEMA 2354FEMA 2345CyclohexylPropionate>CYCLOHEXYL PROPIONATE 99+%
DTXSID20211277CYCLOHEXYL PROPIONATE [FHFI]NSC 11770RefChem:129693DTXCID20133768228-303-564058-36-2InChI=1/C9H16O2/c1-2-9(10)11-8-6-4-3-5-7-8/h8H,2-7H2,1H
Database identifiers
- CAS
6222-35-1- PubChem CID
- 61375
- DTXSID
DTXSID20211277- ChEBI
CHEBI:171769- UNII
- 7697L79NDU
- EC Number
- 228-303-5
- Nikkaji
- J47.205K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.969-0.974
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
Miscible at room temperature (in ethanol)
Boiling Point193 °C
Refractive Index1.439-1.446
Physical DescriptionColourless liquid; apple- and banana-like aroma
Physicochemical properties
- Boiling point
- 72 · 72-73 °C10 mm Hg(lit.)
- Density
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 100% (90 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Propanoic acid, cyclohexyl ester
Regulation (EC) No 1334/2008 (amended)
Propanoic acid, cyclohexyl ester: 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
- 3
- hs_code
- 2916200090
- Signal word
- Warning
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
UsesCyclohexyl Propionate is a synthetic flavoring agent that is a sta- ble, colorless liquid of fruity odor. it is stored in glass or tin contain- ers. it is used in fruit flavors such as pineapple with applications in beverages, candy, ice cream, and baked goods at approximately 3 ppm.
Preparation methods
PreparationBy direct esterification of the alcohol with the acid in the presence of concentrated sulfuric acid or in the presence of benzene.
Suppliers43 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Related reactions
3 records
Compound notes
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