W329002

3-Hexanone

≥97%

• Synonym(s): Ethyl propyl ketone
• Linear Formula: CH₃CH₂CH₂COC₂H₅
• CAS Number: 589-38-8
• Molecular Weight: 100.16
• FEMA Number: 3290
• Council of Europe no.: 4125
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901614
• Flavis number: 7.096
• EC Number: 209-645-4
• NACRES: NA.21
• MDL number: MFCD00009402
• Beilstein/REAXYS Number: 1738025
• Organoleptic: fruity; waxy; sweet
• Biological source: synthetic
• Food allergen: no known allergens

Properties

• biological source: synthetic
• assay: ≥97%
• refractive index: n20/D 1.400 (lit.)
• bp: 123 °C (lit.)
• density: 0.815 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: fruity; waxy; sweet
• SMILES string: CCCC(=O)CC
• InChI: 1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
• InChI key: PFCHFHIRKBAQGU-UHFFFAOYSA-N

Description

General description

3-Hexanone has been reported as one of the volatile organic compounds (VOCs) in pandan leaves, strawberry and acerola fruit.

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Safety Information

• pictograms: GHS02
• signalword: Danger
• hcodes: H225
• pcodes: P210
• Hazard Classifications: Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk: WGK 3
• flash_point_f: 57.2 °F
• flash_point_c: 14 °C
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter