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(Q67879710)
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English
benzyl-2-methylbutyrate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
192.115029752
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆O₂
0 references
canonical SMILES
CCC(C)C(=O)OCC1=CC=CC=C1
0 references
found in taxon
Artemisia salsoloides
1 reference
stated in
Volatile constituents of the essential oil and of the absolute of artemisia salsoloides Willd. from Ladakh
Identifiers
InChI
InChI=1S/C12H16O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
0 references
InChIKey
PTKDIBUNVYIPOD-UHFFFAOYSA-N
0 references
CAS Registry Number
56423-40-6
1 reference
InChIKey
PTKDIBUNVYIPOD-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=56423-40-6
PubChem CID
91849
1 reference
matched by identifier from
InChIKey
InChIKey
PTKDIBUNVYIPOD-UHFFFAOYSA-N
ChEBI ID
229067
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H16O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
SureChEMBL ID
SCHEMBL873471
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PTKDIBUNVYIPOD-UHFFFAOYSA-N
UniChem compound ID
24461289
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID3052226
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
PTKDIBUNVYIPOD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID5030797
0 references
FL number
09.313
1 reference
quotation
CAS no.: 56423-40-6
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
09.313
reference URL
https://webgate.ec.europa.eu/foods_system/main/index.cfm?event=substance.view&identifier=1221
AICS Chemical ID (BEING DELETED)
20479
0 references
Human Metabolome Database ID
HMDB0303579
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PTKDIBUNVYIPOD-UHFFFAOYSA-N
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