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(Q81991850)
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English
Butanoic acid, 3-methyl-, 3-hexenyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
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)CC(C)C
0 references
found in taxon
Matricaria discoidea
1 reference
stated in
Volatile constituents of Matricaria matricarioides
Matricaria matricarioides
1 reference
stated in
Volatile constituents of Matricaria matricarioides
Chamomilla suaveolens
1 reference
stated in
Volatile constituents of Matricaria matricarioides
Identifiers
InChI
InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3
0 references
InChIKey
AIQLNKITFBJPFO-UHFFFAOYSA-N
0 references
CAS Registry Number
10032-11-8
1 reference
InChIKey
AIQLNKITFBJPFO-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=10032-11-8
PubChem CID
37065
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
AIQLNKITFBJPFO-UHFFFAOYSA-N
ChEBI ID
194237
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3
SureChEMBL ID
SCHEMBL573192
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AIQLNKITFBJPFO-UHFFFAOYSA-N
UniChem compound ID
25416515
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID9064920
1 reference
matched by identifier from
InChIKey
InChIKey
AIQLNKITFBJPFO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID0032520
0 references
FL number
09.505
1 reference
quotation
CAS no.: 10032-11-8
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
09.505
JECFA database ID
3993
0 references
JECFA number
202
1 reference
stated in
Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)
retrieved
13 May 2021
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