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/REAXYS Number: 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
• signalword: Warning
• hcodes: H226
• pcodes: P210
• 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