Basic information
- CAS
76649-16-6- Standard SMILES
CCCCC/C=C/CCC(=O)OCC- InChIKey
AWNIQMQADACLCJ-CMDGGOBGSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Overview
Ethyl 4-decenoate is a fatty acid ester.
Names & identifiers
- Preferred name
- Ethyl 4-decenoate, (4E)-
- IUPAC
- ethyl (E)-dec-4-enoate
- English name
- Ethyl trans-4-decenoate
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
Ethyl trans-4-decenoate76649-16-6Ethyl (E)-4-decenoate4-Decenoic acid, ethyl ester, (E)-FEMA No. 36424-Decenoic acid, ethyl ester, (4E)-Ethyl 4-decenoate, (4E)-EINECS 278-509-43I89X5937NETHYL TRANS-4-DECENOATE [FHFI]RefChem:595407278-509-4
Show more names
FEMA 3642Ethyl (4E)-4-decenoateEthyl 4-trans-decenoate
ethyl 4-decenoateethyl (E)-dec-4-enoateETHYL (4E)-DEC-4-ENOATEEthyl trans-dec-4-enoateEthyl4-DecenoateMFCD00015574Ethyl 4E-decenoate(4E)-ethyl 4-decenoate
Database identifiers
- CAS
76649-16-6- PubChem CID
- 5362583
- DTXSID
DTXSID90888516- ChEBI
CHEBI:169182- UNII
- 3I89X5937N
- EC Number
- 278-509-4
- Nikkaji
- J208.443K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.877-0.883
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
72.00 °C. @ 0.10 mm Hg
90 °C (3 mmHg)
Refractive Index1.432-1.444
Physicochemical properties
- Boiling point
- 236.8 · 236.8±9.0 °C(Predicted)
- Density
- 0.88 · 0.88
- FLAVIS Number
- 9.284 · 09.284 | Ethyl dec-4-enoate
- FEMA
- 3642 · 3642 | ETHYL TRANS-4-DECENOATE
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 4-Decenoic acid, ethyl ester, (E)-
4-Decenoic acid, ethyl ester, (4E)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 29171900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information4-Decenoic acid, ethyl ester, (4E)-: ACTIVE
Applications
OccurrenceReported found in beer.
UsesETHYL TRANS-4-DECENOATE is used as food flavorings. Primarily used in floral flavorings.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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