| Identification | More | [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 Properties | Back Directory | [Appearance]
colourless liquid | [Melting point ]
-42 °C (lit.) | [Boiling point ]
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 | [Odor]
at 0.10 % in propylene glycol. ethereal acetone | [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. | [biological source]
synthetic | [explosive limit]
1.6-7.7%(V) | [Odor Type]
ethereal | [Water Solubility ]
50 g/L (20 ºC) | [Merck ]
14,3121 | [BRN ]
635749 | [Dielectric constant]
17.3（14℃） | [Exposure limits]
TLV-TWA 705 mg/m3 (200 ppm) (ACGIH). | [InChIKey]
FDPIMTJIUBPUKL-UHFFFAOYSA-N | [LogP]
0.85 at 25℃ | [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 Data | Back 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 . | [OEB]
A | [OEL]
TWA: 200 ppm (705 mg/m3) | [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) |
| Hazard Information | Back 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. | [Description]
Diethyl ketone is a colorless liquid with anacetone-like odor (smells like nail-polish remover). Odorthreshold 2.8 ppm. Molecular weight=86.15; Specificgravity (H2O:1)=0,81 at 25℃; Boiling point=101.6℃;Freezing/Melting point=242℃; Vapor pressure 535 mmHg at 25℃; Flash point=12.8℃ (oc); Autoignitiontemperature=452℃. Explosive limits: LEL=1.6%;UEL=6.4%. Hazard Identification (based on NFPA-704 MRating System): Health 1, Flammability 3, Reactivity 0.Moderately soluble in 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. | [Toxicology]
Diethyl ketone is a mild narcotic compoundas well as an irritant. Its acute toxicity is lessthan that of methyl propyl ketone. Exposureto 80,000 ppm for 4 hours was fatal to rats.
LD50 value, oral (rats): 2140 mg/kg.
| [Flammability and Explosibility]
Highlyflammable | [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 | [Potential Exposure]
Drug,Mutagen, Primary Irritant. This compound is used as a solvent; in organic synthesis and making medicines. | [First aid]
If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit. | [storage]
Color Code—Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Prior to working with DEK you should be trained on itsproper handling and storage. Before entering confined spacewhere this chemical may be present, check to make surethat an explosive concentration does not exist. Diethylketone must be stored to avoid contact with oxidizing materials (such as peroxides, perchlorates, chlorates, permanganates, and nitrates) since violent reactions occur. Store intightly closed containers in a cool, well-ventilated areaaway from sources of heat. Sources of ignition, such assmoking and open flames, are prohibited where diethylketone is used, handled, or stored in a manner that couldcreate a potential fire or explosion hazard. Metal containersinvolving the transfer of=gallons or more of diethyl ketoneshould be grounded and bonded. Drums must be equippedwith self-closing valves, pressure vacuum bungs, and flamearresters. Use only nonsparking tools and equipment, especially when opening and closing containers of diethylketone. Wherever diethyl ketone is used, handled, manufactured, or stored, use explosion-proof electrical equipmentand fittings. | [Shipping]
This compound requires a shipping label of“FLAMMABLE LIQUID.” It falls in Hazard Class 3 andPacking Group II. | [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.] | [Incompatibilities]
Violent reaction with oxidizers, causingfire and explosion hazard. Forms explosive mixture withair. Incompatible with strong acids, aliphatic amines.Attacks many plastics, rubber, and coatings. May accumulate static electrical charges, and may cause ignition of itsvapors. | [Waste Disposal]
Incineration; molten salt treatment. |
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