Allyl acetate (C5H8O2)

Allyl acetate (C5H8O2; CAS 591-87-7) is a practical retrosynthesis target. Allyl acetate presents a C5 framework, unsaturation. Open AI route search in one click below.

Target: Allyl acetate
CAS: 591-87-7
Formula: C5H8O2
Approx. MW: 100.12
SMILES: C=CCOC(C)=O
PubChem CID: 11584
Approx. carbons: C5

Allyl acetate structure

Properties

IUPAC name: prop-2-enyl acetate
Common names: Allyl acetate; 591-87-7; 3-Acetoxypropene; Acetic acid, 2-propenyl ester; 3-Acetoxy-1-propene; ACETIC ACID, ALLYL ESTER; 2-Propenyl methanoate; DTXSID9024437; E4U5E5990I; NSC-7612
Molecular weight: 100.12
Exact mass: 100.05
InChIKey: FWZUNOYOVVKUNF-UHFFFAOYSA-N
Melting point: Freezing point: -96 °C
Boiling point: 103.5 °C
Density: 0.9275 g/cu cm at 20 °C

View on PubChem

Allyl acetate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Allyl acetate?

Allyl acetate has molecular formula C5H8O2. Molecular weight about 100.12 g·mol⁻¹.

What is the CAS number of Allyl acetate?

The CAS Registry Number for Allyl acetate is 591-87-7.

Run AI retrosynthesis for Allyl acetate Target catalog AI tools overview

Open the planner with Allyl acetate preloaded, then keep routes that match CAS 591-87-7.

Related targets

Similar compounds

4-Pentenoic Acid Isopropenyl acetate Vinyl Propionate 1-Methylcyclopropane-1-carboxylic acid 2-Methyltetrahydrofuran-3-One Cyclobutanecarboxylic Acid

Browse the full target catalog

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.