Amyl butyrate (C9H18O2)

Looking for routes to Amyl butyrate? Amyl butyrate presents a C9 framework. Use the planner with prefilled SMILES, or copy CCCCCOC(=O)CCC (CAS 540-18-1).

Target: Amyl butyrate
CAS: 540-18-1
Formula: C9H18O2
Approx. MW: 158.24
SMILES: CCCCCOC(=O)CCC
PubChem CID: 10890
Approx. carbons: C9

Amyl butyrate structure

Properties

IUPAC name: pentyl butanoate
Common names: Amyl butyrate; PENTYL BUTYRATE; Pentyl butanoate; 540-18-1; n-Amyl butyrate; Butanoic acid, pentyl ester; 1-Pentyl butyrate; Amyl butanoate; Butyric acid, pentyl ester; n-Pentyl n-butyrate
Molecular weight: 158.24
Exact mass: 158.13
InChIKey: CFNJLPHOBMVMNS-UHFFFAOYSA-N
Melting point: -73.2 °C
Boiling point: 185.00 to 187.00 °C. @ 760.00 mm Hg
Density: 0.863-0.866

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Amyl butyrate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Amyl butyrate?

Amyl butyrate has molecular formula C9H18O2. Molecular weight about 158.24 g·mol⁻¹.

What is the CAS number of Amyl butyrate?

The CAS Registry Number for Amyl butyrate is 540-18-1.

Run AI retrosynthesis for Amyl butyrate Target catalog AI tools overview

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Related targets

Similar compounds

Ethyl Heptanoate Isoamyl butyrate Isoamyl isobutyrate Kyowanoic n Methyl 2-ethylhexanoate Nonanoic 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.