W510106

3-Pentanone

≥99%

• Synonym(s): Diethyl ketone
• Linear Formula: CH₃CH₂COCH₂CH₃
• CAS Number: 96-22-0
• Molecular Weight: 86.13
• Beilstein: 635749
• EC Number: 202-490-3
• Council of Europe no.: 2350
• MDL number: MFCD00009320
• UNSPSC Code: 12164502
• PubChem Substance ID: 24902048
• Flavis number: 7.084
• NACRES: NA.21

Properties

• biological source: synthetic
• vapor density: 3 (vs air)
• vapor pressure: 20 mmHg ( 28 °C); 28.1 mmHg ( 20 °C)
• Assay: ≥99%
• form: liquid
• autoignition temp.: 845 °F
• refractive index: n20/D 1.392 (lit.)
• pH: 6.2 (20 °C, 50 g/L)
• bp: 101.5 °C (lit.)
• mp: −42 °C (lit.)
• density: 0.813 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• Organoleptic: ethereal
• SMILES string: CCC(=O)CC
• InChI: 1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
• InChI key: FDPIMTJIUBPUKL-UHFFFAOYSA-N

Description

General description

3-Pentanone is a volatile alcohol that is reported to occur in amaranthus, guava, and roasted coffee.

Disclaimer

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

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H319,H335,H336
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• Target Organs: Central nervous system, Respiratory system
• Supplementary Hazards: EUH066
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 44.6 °F
• Flash Point(C): 7 °C
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves