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(Q82854357)
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English
Butanoic acid, 2-methyl-, 3-hexen-1-yl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
wax monoester
0 references
mass
184.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₂₀O₂
0 references
canonical SMILES
O=C(OCCC=CCC)C(C)CC
0 references
found in taxon
Chrysanthemum morifolium
1 reference
stated in
Identification of floral scent in chrysanthemum cultivars and wild relatives by gas chromatography-mass spectrometry.
Artemisia montana
1 reference
stated in
Composition of the essential oil from the root of Artemisia annua
Artemisia argyi
1 reference
stated in
Composition of the essential oil from the root of Artemisia annua
Artemisia princeps
1 reference
stated in
Composition of the essential oil from the root of Artemisia annua
Mentha
1 reference
stated in
Essential oil composition and chemoarrays of menthol mint (Mentha arvensis L. f.piperascens Malinvaud ex. Holmes) cultivars
Mangifera indica
1 reference
stated in
Volatile components from mango (Mangifera indica L.) cultivars
Identifiers
InChI
InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3
0 references
InChIKey
JKKGTSUICJWEKB-UHFFFAOYSA-N
0 references
CAS Registry Number
10094-41-4
1 reference
InChIKey
JKKGTSUICJWEKB-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=10094-41-4
PubChem CID
61467
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
JKKGTSUICJWEKB-UHFFFAOYSA-N
ChEBI ID
172070
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3
SureChEMBL ID
SCHEMBL309639
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JKKGTSUICJWEKB-UHFFFAOYSA-N
UniChem compound ID
26912873
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50860656
1 reference
matched by identifier from
InChIKey
InChIKey
JKKGTSUICJWEKB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20810188
0 references
FL number
09.506
1 reference
quotation
CAS no.: 10094-41-4
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
09.506
Human Metabolome Database ID
HMDB0032320
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JKKGTSUICJWEKB-UHFFFAOYSA-N
LIPID MAPS ID
LMFA07010752
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
JECFA database ID
4347
0 references
JECFA number
211
1 reference
stated in
Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)
retrieved
13 May 2021
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