2-Pentanone (C5H10O)

2-Pentanone (C5H10O; CAS 107-87-9) is a practical retrosynthesis target. 2-Pentanone presents a C5 framework. Open AI route search in one click below.

Target: 2-Pentanone
CAS: 107-87-9
Formula: C5H10O
Approx. MW: 86.13
SMILES: CCCC(C)=O
PubChem CID: 7895
Approx. carbons: C5

2-Pentanone structure

Properties

IUPAC name: pentan-2-one
Common names: 2-Pentanone; 107-87-9; PENTAN-2-ONE; METHYL PROPYL KETONE; Ethyl acetone; Ethylacetone; Methyl n-propyl ketone; Propyl methyl ketone; Metylopropyloketon; Methylpropyl ketone
Molecular weight: 86.13
Exact mass: 86.07
InChIKey: XNLICIUVMPYHGG-UHFFFAOYSA-N
Melting point: -108 °F (NTP, 1992)
Boiling point: 212 to 214 °F at 760 mmHg (NTP, 1992)
Density: 0.809 at 68 °F (USCG, 1999) - Less dense than water; will float

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2-Pentanone 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Pentanone?

2-Pentanone has molecular formula C5H10O. Molecular weight about 86.13 g·mol⁻¹.

What is the CAS number of 2-Pentanone?

The CAS Registry Number for 2-Pentanone is 107-87-9.

Run AI retrosynthesis for 2-Pentanone Target catalog AI tools overview

Open the planner with 2-Pentanone preloaded, then keep routes that match CAS 107-87-9.

Related targets

Similar compounds

(1-Methylcyclopropyl)methanol 1-Penten-3-Ol 2-Methyl-3-buten-1-ol 2-Methyl-3-Buten-2-Ol 2-Methylbutyraldehyde 2-Methyltetrahydrofuran

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.