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(Q81990973)
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English
3-Hexen-2-one, 5-methyl-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ketone
0 references
mass
112.088815004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₁₂O
0 references
canonical SMILES
O=C(C=CC(C)C)C
0 references
found in taxon
Cryptomeria japonica
1 reference
stated in
GC/MS Analysis of the Leaf Oil ofCryptomeria japonicaD. Don from Reunion Island
Identifiers
InChI
InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3
0 references
InChIKey
IYMKNYVCXUEFJE-UHFFFAOYSA-N
0 references
CAS Registry Number
5166-53-0
1 reference
InChIKey
IYMKNYVCXUEFJE-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=5166-53-0
PubChem CID
21244
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IYMKNYVCXUEFJE-UHFFFAOYSA-N
UniChem compound ID
26783810
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID1063726
1 reference
matched by identifier from
InChIKey
InChIKey
IYMKNYVCXUEFJE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID1041051
0 references
FL number
07.106
1 reference
quotation
CAS no.: 5166-53-0
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
07.106
JECFA number
1132
1 reference
stated in
Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)
retrieved
13 May 2021
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