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(Q81986365)
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English
2-Ethylhept-2-enal
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
140.120115132
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₆O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCC=C(C=O)CC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H16O/c1-3-5-6-7-9(4-2)8-10/h7-8H,3-6H2,1-2H3
0 references
InChIKey
RKQKOUYEJBHOFR-UHFFFAOYSA-N
0 references
CAS Registry Number
10031-88-6
1 reference
InChIKey
RKQKOUYEJBHOFR-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=10031-88-6
PubChem CID
61449
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
RKQKOUYEJBHOFR-UHFFFAOYSA-N
UniChem compound ID
25025614
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90864193
1 reference
matched by identifier from
InChIKey
InChIKey
RKQKOUYEJBHOFR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30812739
0 references
FL number
05.033
1 reference
quotation
CAS no.: 10031-88-6
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
05.033
JECFA number
1216
1 reference
stated in
Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)
retrieved
13 May 2021
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