Pentyl formate (C6H12O2)

Pentyl formate presents a C6 framework (formula C6H12O2, CAS 638-49-3). ChemicalTool Reaction can propose ranked disconnections for Pentyl formate from the SMILES CCCCCOC=O.

Target: Pentyl formate
CAS: 638-49-3
Formula: C6H12O2
Approx. MW: 116.16
SMILES: CCCCCOC=O
PubChem CID: 12529
Approx. carbons: C6

Pentyl formate structure

Properties

Molecular weight: 116.16

View on PubChem

Pentyl formate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Pentyl formate?

Pentyl formate has molecular formula C6H12O2. Molecular weight about 116.16 g·mol⁻¹.

What is the CAS number of Pentyl formate?

The CAS Registry Number for Pentyl formate is 638-49-3.

Run AI retrosynthesis for Pentyl formate Target catalog AI tools overview

Open the planner with Pentyl formate preloaded, then keep routes that match CAS 638-49-3.

Related targets

Similar compounds

2-Ethylbutyric Acid 2-Hydroxycyclohexanol 3-(2-methoxyethoxy)prop-1-ene 4-Ethoxy-2-butanone 4-Hydroxyhexan-3-one 4-Methylvaleric acid

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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.