| Identification | More | [Name]
3,4-Hexanedione | [CAS]
4437-51-8 | [Synonyms]
3,4-DIOXOHEXANE
3,4-HEXANEDIONE
DIETHYL-ALPHA, BETA-DI-KETONE
DIPROPIONYL
FEMA 3168
Bipropionyl
hexane-3,4-dione
3 4-HEXANEDIONE 90+%
1-CAPRYLENE-3-ALCOHOL
3,4-Hexandion
HEXANDION 3,4
3,4-HEXANEDIONE FEMA NO.3168
3,4-HEXANEDIONE 96%
Diethyl diketone
3,4-Hexadione | [EINECS(EC#)]
224-651-7 | [Molecular Formula]
C6H10O2 | [MDL Number]
MFCD00010237 | [Molecular Weight]
114.14 | [MOL File]
4437-51-8.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow liquid | [Melting point ]
-10 °C | [Boiling point ]
131 °C (lit.) | [density ]
0.939 g/mL at 25 °C(lit.)
| [FEMA ]
3168 | [refractive index ]
n20/D 1.41(lit.)
| [Fp ]
88 °F
| [storage temp. ]
Freezer | [form ]
Liquid | [color ]
Clear yellow | [Odor]
at 1.00 % in dipropylene glycol. buttery toasted almond nutty caramellic | [Odor Type]
buttery | [Water Solubility ]
127 g/L (20 ºC) | [JECFA Number]
413 | [BRN ]
1700837 | [LogP]
-0.27 | [CAS DataBase Reference]
4437-51-8(CAS DataBase Reference) | [NIST Chemistry Reference]
3,4-Hexanedione(4437-51-8) | [EPA Substance Registry System]
4437-51-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R10:Flammable.
R36/38:Irritating to eyes and skin .
R20:Harmful by inhalation. | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1224 3/PG 3
| [WGK Germany ]
1
| [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29141900 |
| Hazard Information | Back Directory | [Description]
3,4-Hexanedione has a pungent, unpleasant odor reminiscent of
butter and a taste similar to that of diacetyl. May be prepared
synthetically by condensation of ethyl propionate in the presence
of sodium metal, followed by oxidation of the resulting propionin
with copper acetate or ferric chloride. | [Chemical Properties]
3,4-Hexanedione has an aromatic, toasty, burnt, buttery, nutty, caramel-eggy, pungent odor.
| [Chemical Properties]
clear yellow liquid | [Occurrence]
Reported found in cauliflower, coffee | [Definition]
ChEBI: 3,4-Hexanedione is an alpha-diketone. | [Preparation]
By condensation of ethyl propionate in the presence of sodium metal, followed by oxidation of the resulting propionin
with copper acetate or ferric chloride.
| [Aroma threshold values]
Aroma characteristics at 1.0%: sweet buttery, creamy, slightly cooked caramel and burnt sugary reminiscent of ghee and eggy vanillas. | [Taste threshold values]
Taste characteristics at 5 ppm: sweet buttery, creamy, pound cake and egg caramel-like with vanilla nuances.
| [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. | [Biochem/physiol Actions]
Odor at 1.0% |
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