Synonym: Hexane-3,4-dione
CAS Number: 4437-51-8
Empirical Formula (Hill Notation): C6H10O2
Molecular Weight: 114.14
EC Number: 224-651-7
MDL Number: MFCD00010237
Linear Formula: CH2CH2COCOCH2CH3
Product Type: Chemical
agency | follows IFRA guidelines |
application(s) | flavors and fragrances |
assay | ≥95% |
biological source | synthetic |
bp | 131 °C (lit.) |
density | 0.939 g/mL at 25 °C (lit.) |
documentation | see Safety & Documentation for available documents |
food allergen | no known allergens |
fragrance allergen | no known allergens |
grade | FG |
Fragrance grade | |
Halal | |
Kosher | |
InChI | 1S/C6H10O2/c1-3-5(7)6(8)4 |
InChI key | KVFQMAZOBTXCAZ-UHFFFAOYSA |
organoleptic | caramel; buttery |
Quality Level | 400 ![]() |
refractive index | n |
reg. compliance | EU Regulation 1223/2009 |
EU Regulation 1334/2008 & 872/2012 | |
SMILES string | CCC(=O)C(=O)CC |
Biochem/physiol Actions: | Odor at 1.0% |
Biochem/physiol Actions: | Taste at 5 ppm |
General description: | 3,4-Hexanedione occurs naturally in honey and coffee. It has been proposed as a substitute for diacetyl in butter flavorings. |
Packaging: | 1 kg in glass bottle |
Packaging: | 100, 250 g in glass bottle |
Packaging: | 4 kg in steel drum |
Symbol | ![]() |
Signal word | Warning |
Hazard statements | H226 |
Precautionary statements | P210 |
Risk Statements | 10 |
Safety Statements | 23-24/25 |
RIDADR | UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all |
WGK Germany | WGK 1 |
Flash Point(F) | 80.6 °F - closed cup |
Flash Point(C) | 27 °C - closed cup |
Purity | ≥95% |
bp | 131 °C (lit.) |
Density | 0.939 g/mL at 25 °C (lit.) |
Refractive Index | n |
FEMA Number | 3168 |
UNSPSC | 12164502 |
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