Ethyl 9-decenoate
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Basic information
- CAS
67233-91-4- Standard SMILES
C=CCCCCCCCC(=O)OCC- InChIKey
BKOJTZORTHALGP-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Overview
Ethyl 9-decenoate is the fatty acid ethyl ester of dec-9-enoic acid. It has a role as a metabolite. It is functionally related to a dec-9-enoic acid.
Names & identifiers
- Preferred name
- Ethyl 9-decenoate
- IUPAC
- ethyl dec-9-enoate
- English name
- 9-Decenoic acid, ethyl ester
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
Ethyl 9-decenoateEthyl dec-9-enoate67233-91-49-Decenoic acid, ethyl esterUNII-OI02K838CNOI02K838CNCHEBI:87338DTXSID90334902RefChem:138861DTXCID00285991614-039-1BKOJTZORTHALGP-UHFFFAOYSA-N
Show more names
ETHYLDEC-9-ENOATE
9-DECENOIC ACID ETHYL ESTERSCHEMBL1006866SCA23391AKOS025296131NS00120424I80942Q27159541
Database identifiers
- CAS
67233-91-4- PubChem CID
- 522255
- DTXSID
DTXSID90334902- ChEBI
CHEBI:87338- UNII
- OI02K838CN
- EC Number
- 614-039-1
- Nikkaji
- J976.137C
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- 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
- 152
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 135 °C · 135 °C(Press: 27.5 Torr)
- Density
- 0.88 · 0.880±0.06 g/cm3(Predicted)
- FLAVIS Number
- 9.37 · 09.370 | Ethyl dec-9-enoate
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fruity fatty
- Odor Type
- fruity
- LogP
- 4.453 · 4.453 (est)
- FDA UNII
- 2 K838CN · OI02K838CN
- Comptox DTXSID
- 90334902 · DTXSID90334902
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
9-Decenoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: The fatty acid ethyl ester of dec-9-enoic acid.
Related reactions
7 records
Compound notes
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