Ethyl caprate
Basic information
- CAS
110-38-3- Standard SMILES
CCCCCCCCCC(=O)OCC- InChIKey
RGXWDWUGBIJHDO-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Overview
Ethyl decanoate is a fatty acid ethyl ester of decanoic acid. It has a role as a metabolite. It is a fatty acid ethyl ester and a decanoate ester.
Names & identifiers
- Preferred name
- Ethyl caprate
- IUPAC
- ethyl decanoate
- English name
- Ethyl caprate
- Molecular formula
- C12H24O2
- Molecular weight
- 200.32
Names & synonyms
ETHYL DECANOATEEthyl caprate110-38-3Ethyl decylateDecanoic acid, ethyl esterCapric acid ethyl esterFEMA No. 2432DTXSID0044363GY39FB86UONSC-8909DTXCID8024363CHEBI:87430
Show more names
Ethyl DecenoateFEMA 2432Decanoic acid ethylZolpidemumETHYLCAPRINAT
RefChem:138908203-761-9Decanoic Acid Ethyl EsterEthyl caprinateEthyl n-decanoateCapric acid, ethyl esterNSC 8909Decanoic acid-ethyl ester
Database identifiers
- CAS
110-38-3- PubChem CID
- 8048
- DTXSID
DTXSID0044363- ChEMBL
CHEMBL3184829- ChEBI
CHEBI:87430- UNII
- GY39FB86UO
- EC Number
- 203-761-9
- Nikkaji
- J1.974G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Ethyl decanoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.863-0.868
Flavoring AgentsEU Flavoring substances
Solubility
0.0159 mg/mL at 25 °C
Soluble in most fixed oils, insoluble in glycerol and propylene glycol
1ml in 4ml 80% ethanol (in ethanol)
Boiling Point
241.00 to 245.00 °C. @ 760.00 mm Hg
243 °C
Melting Point-20 °C
Refractive Index
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% (1642 of 1642) of all reports.
Not Classified
Aggregated GHS information provided per 1642 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Decanoic acid, ethyl ester
REACH registered substance: Ethyl decanoate (EC: 203-761-9)
Ethyl decanoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Decanoic acid, ethyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- HD9420000
- hs_code
- 29159080
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- REACH Registrations
- Active
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Ethyl Caprate 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
General Manufacturing InformationDecanoic acid, ethyl ester: ACTIVE
Applications
DescriptionEthyl caprate (also known as ethyl decanoate) is the ethyl ester form of caprate. It is a kind of product during the fermentation process of winemaking. It also exists in the essential oils of many kinds of natural fruits. It can be used as a common flavoring agent and food spices.
OccurrenceReported found in cognac, apple, banana, cherry, citrus, grape, melon, pear, pinapple, and more.
UsesEthyl Decanoate, is a fatty acid ester formed from capric acid and ethanol. It is a volatile ester produced during the fermentation in winemaking. It can also be used as a flavor and fragrance ingredients.
Usesmanufacture of wine bouquets, cognac essence.
General DescriptionEthyl decanoate has ethereal, fruity, aromatic note that is considered to be essential for a fine wine flavor.
Preparation methods
Ethyl decanoate is prepared by esterification of decanoic acid and ethyl alcohol in the presence of HCl or H2SO4.
Related reactions
15 records
Compound notes
Loading…