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English
Heptan-2-yl hexanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
214.193280072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₆O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC(=O)OC(C)CCCCC
1 reference
based on heuristic
inferred from InChI
found in taxon
Vergonis planta
1 reference
stated in
The chemistry of food flavour. I. Volatile constituents of passionfruit, Passiflora edulis
Identifiers
InChI
InChI=1S/C13H26O2/c1-4-6-8-10-12(3)15-13(14)11-9-7-5-2/h12H,4-11H2,1-3H3
0 references
InChIKey
PPQPRIGCIRJGJH-UHFFFAOYSA-N
0 references
CAS Registry Number
6624-58-4
1 reference
InChIKey
PPQPRIGCIRJGJH-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=6624-58-4
PubChem CID
97881
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
PPQPRIGCIRJGJH-UHFFFAOYSA-N
UniChem compound ID
67359218
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80863918
1 reference
matched by identifier from
InChIKey
InChIKey
PPQPRIGCIRJGJH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00812488
0 references
NSC number
53804
0 references
FL number
09.391
1 reference
quotation
CAS no.: 6624-58-4
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
09.391
UNII
8KIQ67GW3S
1 reference
matched by identifier from
InChIKey
InChIKey
PPQPRIGCIRJGJH-UHFFFAOYSA-N
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