Methyl 2-ethylhexanoate (C9H18O2)

Looking for routes to Methyl 2-ethylhexanoate? Methyl 2-ethylhexanoate presents a C9 framework, an ester. Use the planner with prefilled SMILES, or copy CCCCC(CC)C(=O)OC (CAS 816-19-3).

Target: Methyl 2-ethylhexanoate
CAS: 816-19-3
Formula: C9H18O2
Approx. MW: 158.24
SMILES: CCCCC(CC)C(=O)OC
PubChem CID: 102491
Approx. carbons: C9

Methyl 2-ethylhexanoate structure

Properties

IUPAC name: methyl 2-ethylhexanoate
Common names: Methyl 2-ethylhexanoate; Hexanoic acid, 2-ethyl-, methyl ester; 2-Ethylhexanoic Acid Methyl Ester; 2-Ethyl-methyl ester hexanoic acid; EINECS 212-429-2; UNII-3100891M19; DTXSID9052559; KICUISADAVMYCJ-UHFFFAOYSA-; EC 212-429-2; Methyl ester of 2-ethylhexanoic acid
Molecular weight: 158.24
Exact mass: 158.13
InChIKey: KICUISADAVMYCJ-UHFFFAOYSA-N

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Methyl 2-ethylhexanoate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Methyl 2-ethylhexanoate?

Methyl 2-ethylhexanoate has molecular formula C9H18O2. Molecular weight about 158.24 g·mol⁻¹.

What is the CAS number of Methyl 2-ethylhexanoate?

The CAS Registry Number for Methyl 2-ethylhexanoate is 816-19-3.

Run AI retrosynthesis for Methyl 2-ethylhexanoate Target catalog AI tools overview

Open the planner with Methyl 2-ethylhexanoate preloaded, then keep routes that match CAS 816-19-3.

Related targets

Similar compounds

Ethyl Heptanoate Isoamyl butyrate 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.