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(Q81986339)
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English
Heptan-2-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
mass
158.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₈O₂
0 references
canonical SMILES
O=C(OC(C)CCCCC)C
0 references
found in taxon
Zingiber officinale
1 reference
stated in
Repellent activity of alligator pepper, Aframomum melegueta, and ginger, Zingiber officinale, against the maize weevil, Sitophilus zeamais.
Vergonis planta
1 reference
stated in
The chemistry of food flavour. I. Volatile constituents of passionfruit, Passiflora edulis
Identifiers
InChI
InChI=1S/C9H18O2/c1-4-5-6-7-8(2)11-9(3)10/h8H,4-7H2,1-3H3
0 references
InChIKey
VJYWBLDDQZIGJI-UHFFFAOYSA-N
0 references
CAS Registry Number
5921-82-4
1 reference
InChIKey
VJYWBLDDQZIGJI-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=5921-82-4
PubChem CID
80018
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
VJYWBLDDQZIGJI-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL1301645
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VJYWBLDDQZIGJI-UHFFFAOYSA-N
UniChem compound ID
24922650
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60863653
1 reference
matched by identifier from
InChIKey
InChIKey
VJYWBLDDQZIGJI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60812242
0 references
FL number
09.388
1 reference
quotation
CAS no.: 5921-82-4
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
09.388
AICS Chemical ID (BEING DELETED)
9844
0 references
Human Metabolome Database ID
HMDB0302994
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VJYWBLDDQZIGJI-UHFFFAOYSA-N
UNII
2XQ2C7T25A
1 reference
matched by identifier from
InChIKey
InChIKey
VJYWBLDDQZIGJI-UHFFFAOYSA-N
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