ChemicalBook--->CAS DataBase List--->96-22-0

96-22-0

96-22-0 Structure

96-22-0 Structure
IdentificationMore
[Name]

3-Pentanone
[CAS]

96-22-0
[Synonyms]

3-PENTANONE
DIETHYL KETONE
DIMETHYLACETONE
ETHYL KETONE
PENTAN-3-ONE
PROPIONE
(C2H5)2CO
1,3-Dimethylacetone
3-Oxopentane
3-Pentanon
DEK
Diathylketon
Diethylcetone
diethylcetone(french)
Diethylketon
Ethyl propionyl
ethylpropionyl
Metacetone
Methacetone
Pentan-3-on
[EINECS(EC#)]

202-490-3
[Molecular Formula]

C5H10O
[MDL Number]

MFCD00009320
[Molecular Weight]

86.13
[MOL File]

96-22-0.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[mp ]

-40 °C
[Melting point ]

-42 °C (lit.)
[Boiling point ]

101.5 °C (lit.)
[bp ]

101.5 °C(lit.)
[density ]

0.815
[vapor density ]

3 (vs air)
[vapor pressure ]

20 mm Hg ( 28 °C)
[refractive index ]

n20/D 1.392(lit.)
[Fp ]

55 °F
[storage temp. ]

Flammables area
[solubility ]

water: slightly soluble
[form ]

Liquid
[color ]

Clear colorless
[PH]

6.2 (50g/l, H2O, 20℃)
[Relative polarity]

0.265
[Stability:]

Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong bases, reducing agents, strong oxidizing agents.
[explosive limit]

1.6-7.7%(V)
[Water Solubility ]

50 g/L (20 ºC)
[Merck ]

14,3121
[BRN ]

635749
[Exposure limits]

TLV-TWA 705 mg/m3 (200 ppm) (ACGIH).
[InChIKey]

FDPIMTJIUBPUKL-UHFFFAOYSA-N
[CAS DataBase Reference]

96-22-0(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Pentanone(96-22-0)
[EPA Substance Registry System]

96-22-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F,Xi
[Risk Statements ]

R11:Highly Flammable.
R37:Irritating to the respiratory system.
R66:Repeated exposure may cause skin dryness or cracking.
R67:Vapors may cause drowsiness and dizziness.
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S25:Avoid contact with eyes .
S33:Take precautionary measures against static discharges .
[RIDADR ]

UN 1156 3/PG 2
[WGK Germany ]

1
[RTECS ]

SA8050000
[Autoignition Temperature]

845 °F
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29141900
[Safety Profile]

Moderately toxic by routes. A skin and eye irritant. Mutation data reported. Dangerous fre hazard when exposed to heat or flame; can react vigorously with oxidzing materials. To fight fire, use alcohol foam, foam, CO2, dry chemical. Reacts with hydrogen peroxide + nitric acid to form a shockand heat sensitive explosive peroxide. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
[Hazardous Substances Data]

96-22-0(Hazardous Substances Data)
[Toxicity]

LD50 orally in rats: 2.1 g/kg, Smyth et al., Arch. Ind. Hyg. Occup. Med. 10, 61 (1954)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium dichromate dihydrate-->3-Pentanol
[Preparation Products]

2-(3-BROMO-PROPYL)-1H-BENZOIMIDAZOLE-->3-Ethyl-3-pentanol-->5-Ethyl-6-methylthieno[2,3-d]pyrimidin-4(3H)-one ,97%-->2-AMINO-4-ETHYL-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER-->2-AMINO-4-ETHYL-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER-->2-Chloropentan-3-one-->DIPHENYLKETENE-->2,3,6-Trimethylphenol-->2,4-Dimethyl-2,4-heptadienal-->3-AMINOPENTANE-3-CARBOXYLIC ACID-->BICYCLO[2.2.2]OCTANE-->1-METHYLBUTYL ACETATE-->3-ETHYL-2-PENTENE-->2-6-DIMETHYL-4-NITROANILINE-->2,6-DIMETHYL-4-NITROPHENOL-->3,5-DIMETHYL-4-HEPTANONE-->1-Dimethylamino-2-methylpentan-3-one
Hazard InformationBack Directory
[General Description]

A clear colorless liquid with an acetone-like odor. Flash point 55°F. Less dense than water. Vapors heavier than air.
[Reactivity Profile]

DIETHYL KETONE(96-22-0) is incompatible with the following: Strong oxidizers, alkalis, mineral acids, (hydrogen peroxide + nitric acid) .
[Air & Water Reactions]

Highly flammable. Slightly soluble in water
[Health Hazard]

Liquid causes eye burn. Vapor irritates eyes, nose and throat; can cause headache, dizziness, nausea, weakness, and loss of consciousness.
[Fire Hazard]

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
[Chemical Properties]

colourless liquid
[Uses]

Diethyl ketone is used as a solvent, inmedicine, and in organic synthesis.
[Definition]

ChEBI: A pentanone that is pentane carrying an oxo group at position 3. It has been isolated from Triatoma brasiliensis and Triatoma infestans.
[Chemical Synthesis]

Ketonic decarboxylation route
3-Pentanone is produced by ketonic decarboxylation of propanoic acid using metal oxide catalysts:
2 CH3CH2CO2H → (CH3CH2)2CO + CO2 + H2O
in the laboratory, the reaction can be conducted in a tube furnace.
Other way to make 3-pentanone: Acetone + very strong base and then + methylating agent -> butanone. Butanone + very strong base, then + methylating agent -> mixture of 3-methylbutanone and 3-pentanone.
Synthesis of 3-pentanone from 1-propanol over CeO2–Fe2O3 catalysts
Vogel's Textbook of Practical Organic Chemistry
[Purification Methods]

Dry it with anhydrous CaSO4 or CuSO4, and distil from P2O5 under N2 or under reduced pressure. Further purification is by conversion to the semicarbazone (recrystallise to constant m 139o, from EtOH) which, after drying in vacuo over CaCl2 and paraffin wax, is refluxed for 30minutes with excess oxalic acid, then steam distilled and salted out with K2CO3. Dry with Na2SO4 and distil [Cowan et al. J Chem Soc 171 1940]. [Beilstein 1 IV 3279.]
[Waste Disposal]

Incineration; molten salt treatment.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-pentanone(96-22-0).msds
Spectrum DetailBack Directory
[Spectrum Detail]

3-Pentanone(96-22-0)MS
3-Pentanone(96-22-0)1HNMR
3-Pentanone(96-22-0)13CNMR
3-Pentanone(96-22-0)IR1
3-Pentanone(96-22-0)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Pentanone, 98%(96-22-0)
[Alfa Aesar]

3-Pentanone, 99%(96-22-0)
[Sigma Aldrich]

96-22-0(sigmaaldrich)
[TCI AMERICA]

3-Pentanone,>98.0%(GC)(96-22-0)
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