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Methyl isostearate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
298.287180456
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₃₈O₂
0 references
canonical SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OC
0 references
found in taxon
Nicotiana tabacum
2 references
stated in
Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves
stated in
Extraction of essential oil from discarded tobacco leaves by solvent extraction and steam distillation, and identification of its chemical composition
Identifiers
InChI
InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21-3/h18H,4-17H2,1-3H3
0 references
InChIKey
KDQIFKKWPMBNOH-UHFFFAOYSA-N
0 references
CAS Registry Number
68517-10-2
0 references
PubChem CID
110444
0 references
UniChem compound ID
11667101
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP002180
0 references
DSSTox substance ID
DTXSID0071598
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID0046064
0 references
KNApSAcK ID
C00062014
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KDQIFKKWPMBNOH-UHFFFAOYSA-N
UNII
2B9VP4H2JC
1 reference
matched by identifier from
InChIKey
InChIKey
KDQIFKKWPMBNOH-UHFFFAOYSA-N
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