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(Q82854993)
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English
2,4,7-Decatrienoic acid, ethyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
194.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₈O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC=CCC=CC=CC(=O)OCC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H18O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h5-6,8-11H,3-4,7H2,1-2H3
0 references
InChIKey
KRCQDQXKPOKJOE-UHFFFAOYSA-N
0 references
CAS Registry Number
78417-28-4
1 reference
InChIKey
KRCQDQXKPOKJOE-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=78417-28-4
PubChem CID
3018771
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KRCQDQXKPOKJOE-UHFFFAOYSA-N
UniChem compound ID
26816109
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30868478
1 reference
matched by identifier from
InChIKey
InChIKey
KRCQDQXKPOKJOE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80816580
0 references
FL number
09.371
1 reference
quotation
CAS no.: 78417-28-4
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
09.371
HCIS ID
1156
0 references
JECFA number
1193
1 reference
stated in
Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)
retrieved
13 May 2021
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