W254304

2,3-Heptanedione

≥97%, FG

• Synonym(s): Acetyl valeryl
• Linear Formula: CH₃(CH₂)₃COCOCH₃
• CAS Number: 96-04-8
• Molecular Weight: 128.17
• FEMA Number: 2543
• EC Number: 202-472-5
• Council of Europe no.: 2044
• MDL number: MFCD00036550
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901130
• Flavis number: 7.064
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• Agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117; FDA 21 CFR 172.515
• Assay: ≥97%
• refractive index: n20/D 1.415 (lit.)
• bp: 64 °C/18 mmHg (lit.)
• density: 0.92 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: butter; cheese; oily
• SMILES string: CCCCC(=O)C(C)=O
• InChI: 1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
• InChI key: FJPGAMCQJNLTJC-UHFFFAOYSA-N
• Gene Information: human ... ACHE(43) , BCHE(590) , CES1(1066)

Safety Information

• Pictograms: GHS02
• Signal Word: Warning
• Hazard Statements: H226
• Hazard Classifications: Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 105.8 °F - closed cup
• Flash Point(C): 41 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves