Ethyl 9-decenoate

HCID 522255CAS 67233-91-4
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Basic information

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 properties

XLogP
4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
10
Heavy atoms
14

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)

Safety & regulation

Hazard information

Regulatory Information · 2 items

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Suppliers10 total

天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
常州协丰医药研发有限公司519-85601385 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
南通鑫奇胜生物科技有限公司13635551869 13690496888 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]

Additional notes

DefinitionChEBI: The fatty acid ethyl ester of dec-9-enoic acid.

Related reactions

7 records
New reaction record

Linked notes

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