| Identification | More | [Name]
2,3-Pentanedione | [CAS]
600-14-6 | [Synonyms]
2,3-PENTANEDITHIOL
2,3-Pentadione
2,3-pentandione
Acethylpropionyl
CH3C(O)C(O)C2H5
2 3-PENTANEDIONE 96+% FCC
2,3-PENTANEDIONE 97%
2,3-PENTANEDIONE FEMA NO.2841
2,3-PENTANEDITHIOL FEMA NO.--------
2,3-PENTANEDIONE 98+%
(2S,3A-S,7AS)-Perhydroindole-2-CarboxylicAcid
2,3-pentadione,2,3-pentanedione
2,3-pentanedione, natural
2,3-Pentandion
PENTANDION-2,3
2,3-Pentanedione
2.6-Pentanedione
ACETYL PROPIONYL, NATURAL
3,4-Pentanedione
Ethyl methyl diketone | [EINECS(EC#)]
209-984-8 | [Molecular Formula]
C5H8O2 | [MDL Number]
MFCD08443597 | [Molecular Weight]
100.12 | [MOL File]
600-14-6.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid (? some sources report this as being a deep green-yellow colour) | [Melting point ]
-52 °C (lit.) | [Boiling point ]
110-112 °C (lit.) | [density ]
0.958 | [vapor pressure ]
28.5 hPa (20 °C) | [FEMA ]
2841 | [refractive index ]
n20/D 1.404(lit.)
| [Fp ]
66 °F
| [storage temp. ]
2-8°C
| [solubility ]
60g/l | [form ]
Liquid | [color ]
very deep green-yellow
| [Odor]
at 1.00 % in dipropylene glycol. pungent sweet butter creamy caramel nutty cheese | [PH]
4 (H2O) | [Stability:]
Stable. Highly flammable-store cool. Incompatible with strong oxidizing agents, reducing agents, strong bases. | [explosive limit]
1.8-10.9%(V) | [Odor Type]
buttery | [Water Solubility ]
60 g/L (15 ºC) | [JECFA Number]
410 | [BRN ]
1699638 | [Exposure limits]
NIOSH: TWA 9.3 ppb; STEL 31 ppb | [InChIKey]
TZMFJUDUGYTVRY-UHFFFAOYSA-N | [LogP]
-0.85 | [CAS DataBase Reference]
600-14-6(CAS DataBase Reference) | [NIST Chemistry Reference]
2,3-Pentanedione(600-14-6) | [EPA Substance Registry System]
600-14-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
F,Xi | [Risk Statements ]
R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
UN 1224 3/PG 2
| [WGK Germany ]
1
| [RTECS ]
SA1850000
| [F ]
9-23 | [Autoignition Temperature]
265 °C | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29141990 | [Safety Profile]
Confirmed human carcinogen. Poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes. See also NICKEL COMPOUNDS | [Hazardous Substances Data]
600-14-6(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 3000 mg/kg LD50 dermal Rabbit > 2500 mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
2,3-Pentanedione has a somewhat sweet odor similar to quinone. This compound has a penetrating, buttery taste on
dilution. | [Chemical Properties]
colourless liquid (? some sources report this as being a deep green-yellow colour) | [Occurrence]
Identified in the essential oil of Finnish pine. Also reported found in peach, wheaten bread, yogurt, cocoa,
coffee, back tea, roasted barley, roasted filbert, roasted peanut, roasted almonds, pecans, soybean, malt, peated malt, chayote, peas,
cooked potato, tomato, butter, yogurt, boiled egg, fatty fish, cooked chicken and fat, cooked beef and pork, pork liver, beer, cognac,
rum, whiskies, grape wines, cocoa, potato chips, passion fruit, mango, beans, macadamia nut, tamarind, sweet potato, pumpkin,
sweet corn, shrimp, oyster, okra, clam, maté and soursop. | [Application]
2,3-Pentanedione can be used as a reactant to synthesize:
Bisphenol derivatives by acid-catalyzed condensation reaction with phenols.
2-Ethyl-3-methyl-1H-indole by Pd-catalyzed reaction with aniline under reductive conditions.
2-Ethyl-3-methylquinoxaline by condensation reaction with o-phenylenediamine using citric acid as a catalyst. | [Uses]
2,3-Pentanedione can be used as a reactant to synthesize:
- Bisphenol derivatives by acid-catalyzed condensation reaction with phenols.
- 2-Ethyl-3-methyl-1H-indole by Pd-catalyzed reaction with aniline under reductive conditions.
- 2-Ethyl-3-methylquinoxaline by condensation reaction with o-phenylenediamine using citric acid as a catalyst.
| [Uses]
2,3-Pentanedione may be used as a reference standard in the determination of 2,3-pentanedione in beer samples using headspace-gas chromatographic technique (HS-GC). | [Definition]
ChEBI: An alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups. | [Preparation]
By oxidation of methyl propyl ketone with excess NaNO2 and diluted HCl in the presence of hydroxylamine hydrochloride
under a nitrogen blanket. | [Aroma threshold values]
Detection: 20 ppb. Aroma characteristics at 1.0%: buttery diacetyl-like, fermented dairy and creamy,
popcorn buttery. | [Taste threshold values]
Taste characteristics at 1 to 5 ppm: sweet buttery, creamy, cheesy, slightly toasted dairy, with a rich baked
goods nuance and a good mouthfeel. | [General Description]
2,3-Pentanedione (acetylpropionyl) is one of the aroma active compounds of cereal coffee brew. | [Biochem/physiol Actions]
Taste at 1-5.0 ppm |
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