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Butyl 2-ethylbutyrate
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
172.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₂₀O₂
0 references
canonical SMILES
CCCCOC(=O)C(CC)CC
0 references
found in taxon
Acca sellowiana
1 reference
stated in
Compositional Analysis and Aroma Evaluation of Feijoa Essential Oils from New Zealand Grown Cultivars
Identifiers
InChI
InChI=1S/C10H20O2/c1-4-7-8-12-10(11)9(5-2)6-3/h9H,4-8H2,1-3H3
0 references
InChIKey
YARHPYLJZOUSGU-UHFFFAOYSA-N
0 references
CAS Registry Number
5129-48-6
1 reference
InChIKey
YARHPYLJZOUSGU-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=5129-48-6
PubChem CID
78807
1 reference
matched by identifier from
InChIKey
InChIKey
YARHPYLJZOUSGU-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL1759482
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YARHPYLJZOUSGU-UHFFFAOYSA-N
UniChem compound ID
26754895
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP010903
0 references
DSSTox substance ID
DTXSID60199287
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
YARHPYLJZOUSGU-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90121778
0 references
KNApSAcK ID
C00055748
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YARHPYLJZOUSGU-UHFFFAOYSA-N
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