W316814

3,4-Hexanedione

≥95%, FG

• Synonym(s): Hexane-3,4-dione
• Linear Formula: CH₂CH₂COCOCH₂CH₃
• CAS Number: 4437-51-8
• Molecular Weight: 114.14
• FEMA Number: 3168
• Beilstein: 1700837
• EC Number: 224-651-7
• Council of Europe no.: 2255
• MDL number: MFCD00010237
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901508
• Flavis number: 7.077
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• Agency: follows IFRA guidelines
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 872/2012
• Assay: ≥95%
• refractive index: n20/D 1.41 (lit.)
• bp: 131 °C (lit.)
• density: 0.939 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• Organoleptic: caramel; buttery
• 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

3,4-Hexanedione occurs naturally in honey and coffee. It has been proposed as a substitute for diacetyl in butter flavorings.

Biochem/physiol Actions

Odor at 1.0%

Taste at 5 ppm

Safety Information

• Pictograms: GHS02
• Signal Word: Warning
• Hazard Statements: H226
• Precautionary Statements: P210
• Hazard Classifications: Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 80.6 °F - closed cup
• Flash Point(C): 27 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves