Ethyl heptanoate (C9H18O2)

Ethyl Heptanoate presents a C9 framework, an ester (formula C9H18O2, CAS 106-30-9). ChemicalTool Reaction can propose ranked disconnections for Ethyl Heptanoate from the SMILES CCCCCCC(=O)OCC.

Target: Ethyl heptanoate
CAS: 106-30-9
Formula: C9H18O2
Approx. MW: 158.24
SMILES: CCCCCCC(=O)OCC
PubChem CID: 7797
Approx. carbons: C9

Ethyl heptanoate structure

Properties

IUPAC name: ethyl heptanoate
Common names: ETHYL HEPTANOATE; 106-30-9; Ethyl enanthate; Oenanthic ether; Ethyl heptoate; Ethyl heptylate; Ethyl oenanthate; Heptanoic acid, ethyl ester; HEPTANOIC ACID ETHYL ESTER; FEMA No. 2437
Molecular weight: 158.24
Exact mass: 158.13
InChIKey: TVQGDYNRXLTQAP-UHFFFAOYSA-N
Melting point: -66.1 °C
Boiling point: 188.00 to 189.00 °C. @ 760.00 mm Hg
Density: 0.867-0.872

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Ethyl heptanoate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Ethyl heptanoate?

Ethyl heptanoate has molecular formula C9H18O2. Molecular weight about 158.24 g·mol⁻¹.

What is the CAS number of Ethyl heptanoate?

The CAS Registry Number for Ethyl heptanoate is 106-30-9.

Run AI retrosynthesis for Ethyl heptanoate Target catalog AI tools overview

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Related targets

Similar compounds

Isoamyl butyrate Methyl 2-ethylhexanoate 1-Chloroethyl Cyclohexyl Carbonate 2-(2-Ethoxyethoxy)ethyl acrylate 2-Acetoxy-5-norbornene Cyclohexyl acrylate

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.