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(Q82106293)
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English
Octanethioic acid, S-methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
174.107836196
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₈OS
0 references
canonical SMILES
CCCCCCCC(=O)SC
0 references
found in taxon
Durio zibethinus
1 reference
stated in
Sulfur-Containing Volatiles of Durian Fruits (Durio zibethinus Murr.)
Identifiers
InChI
InChI=1S/C9H18OS/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
0 references
InChIKey
UKPKZMMTLNIPKR-UHFFFAOYSA-N
0 references
CAS Registry Number
2432-83-9
0 references
PubChem CID
546377
1 reference
matched by identifier from
InChIKey
InChIKey
UKPKZMMTLNIPKR-UHFFFAOYSA-N
UniChem compound ID
25680183
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50338103
1 reference
matched by identifier from
InChIKey
InChIKey
UKPKZMMTLNIPKR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40289190
0 references
FL number
12.282
1 reference
quotation
CAS no.: 2432-83-9
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
12.282
KNApSAcK ID
C00061032
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UKPKZMMTLNIPKR-UHFFFAOYSA-N
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