306932

3,4-Hexanedione

95%

• Linear Formula: CH₂CH₂COCOCH₂CH₃
• CAS Number: 4437-51-8
• Molecular Weight: 114.14
• Beilstein/REAXYS Number: 1700837
• EC Number: 224-651-7
• MDL number: MFCD00010237
• UNSPSC Code: 12352100
• PubChem Substance ID: 24858547
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 95%
• form: liquid
• refractive index: n20/D 1.41 (lit.)
• bp: 131 °C (lit.)
• density: 0.939 g/mL at 25 °C (lit.)
• functional group: ketone
• SMILES string: CCC(=O)C(=O)CC
• InChI: 1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
• InChI key: KVFQMAZOBTXCAZ-UHFFFAOYSA-N

Description

General description

The dermal irritation and sensitization potential of 3,4-hexanedione (used as constituents of synthetic flavoring agent) was studied using a murine model. The 3,4-hexanedione derivatives inhibited oxoglutarate transport.

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 80.6 °F - closed cup
• flash_point_c: 27 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter