Products 42598-96-9

CAS 42598-96-9 appears in our catalog under these names: Acetoacetic acid n-heptyl ester, 95%, Heptyl Acetoacetate, >95.0%(GC). Offered by: Combi-blocks, TCI. Available pack sizes: 25g, 1g, 5g, 25ml.

Acetoacetic acid n-heptyl ester, 95%
Combi-blocks
  • size: 25g, 1g, 5g
  • Variants: 3
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Heptyl Acetoacetate, >95.0%(GC)
TCI
  • size: 25ml
  • Variants: 1
from 324.87
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Structural formula: {0} (CAS {1})

Heptyl 3-oxobutanoate (CAS 42598-96-9) is a chemical compound with the molecular formula C11H20O3 and a molecular weight of 200.27 g/mol. IUPAC name: heptyl 3-oxobutanoate. InChIKey: YAVJSVDUZGIQPQ-UHFFFAOYSA-N.

Identity
Molecular formulaC11H20O3
Molecular weight200.27 g/mol
IUPAC nameheptyl 3-oxobutanoate
InChIKeyYAVJSVDUZGIQPQ-UHFFFAOYSA-N
SMILESCCCCCCCOC(=O)CC(=O)C

Computed by PubChem (NCBI)

Synonyms: Heptyl acetoacetate, heptyl 3-oxobutanoate, Butanoic acid, 3-oxo-, heptyl ester, N-HEPTYL ACETYLACETATE, Acetoacetic acid n-heptyl ester, ACETOACETICACIDN-HEPTYLESTER, Acetoacetic Acid Heptyl Ester, Amylacetessigester, YAVJSVDUZGIQPQ-UHFFFAOYSA-N
Isomers (same molecular formula)
tert-butyl 4-hydroxycyclohexane-1-carboxylate C11H20O3
10-oxoundecanoic acid C11H20O3
methyl 2-methyl-5-oxo-2-propan-2-ylhexanoate C11H20O3
ethyl 2-acetylheptanoate C11H20O3
methyl 10-oxodecanoate C11H20O3
ethyl 2-methyl-3-(oxan-4-yl)propanoate C11H20O3
ethyl 4-(2-hydroxyethyl)cyclohexane-1-carboxylate C11H20O3
ethyl 2-(4-hydroxycyclohexyl)propanoate C11H20O3
tert-butyl 3-but-3-enoxypropanoate C11H20O3
9-methoxy-1-oxaspiro[5.5]undecan-4-ol C11H20O3
(1S,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid C11H20O3
10,10-dimethyl-1,9-dioxaspiro[5.5]undecan-4-ol C11H20O3