Hexanoic acid (C6H12O2)

Hexanoic Acid presents a C6 framework, a carboxylic acid (formula C6H12O2, CAS 142-62-1). ChemicalHelper Reaction can propose ranked disconnections for Hexanoic Acid from the SMILES CCCCCC(=O)O.

Target: Hexanoic acid
CAS: 142-62-1
Formula: C6H12O2
Approx. MW: 116.16
SMILES: CCCCCC(=O)O
PubChem CID: 8892
Approx. carbons: C6

Hexanoic acid structure

Properties

IUPAC name: hexanoic acid
Common names: HEXANOIC ACID; Caproic acid; 142-62-1; n-Caproic acid; n-Hexanoic acid; Capronic acid; 1-Hexanoic acid; Hexoic acid; Butylacetic acid; Pentylformic acid
Molecular weight: 116.16
Exact mass: 116.08
InChIKey: FUZZWVXGSFPDMH-UHFFFAOYSA-N
Melting point: 27 °F (NTP, 1992)
Boiling point: 396 to 397 °F at 760 mmHg (NTP, 1992)
Density: 0.927 (USCG, 1999) - Less dense than water; will float

View on PubChem

Hexanoic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Hexanoic acid?

Hexanoic acid has molecular formula C6H12O2. Molecular weight about 116.16 g·mol⁻¹.

What is the CAS number of Hexanoic acid?

The CAS Registry Number for Hexanoic acid is 142-62-1.

Run AI retrosynthesis for Hexanoic acid Target catalog AI tools overview

Open the planner with Hexanoic acid preloaded, then keep routes that match CAS 142-62-1.

Related targets

Similar compounds

2-Ethylbutyric Acid 4-Methylvaleric acid 2-(carbamoylamino)pentanedioic acid 2-Amino-3-methylpentanoic acid 2-Amino-D-gluconic acid 2-Aminohexanedioic acid

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References & tools

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