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3-Pentanone

CAS No.
96-22-0
Chemical Name:
3-Pentanone
Synonyms
PENTAN-3-ONE;DIETHYL KETONE;DEK;ETHYL KETONE;3-Pentanon;PROPIONE;Ethyl propionyl;ZED2EK;(C2H5)2CO;Metacetone
CBNumber:
CB5270897
Molecular Formula:
C5H10O
Lewis structure
c5h10o lewis structure
Molecular Weight:
86.13
MDL Number:
MFCD00009320
MOL File:
96-22-0.mol
MSDS File:
SDS
Last updated:2024-03-14 15:18:26

3-Pentanone Properties

Melting point -42 °C (lit.)
Boiling point 101.5 °C (lit.)
Density 0.813 g/mL at 25 °C (lit.)
vapor density 3 (vs air)
vapor pressure 20 mm Hg ( 28 °C)
refractive index n20/D 1.392(lit.)
Flash point 55 °F
storage temp. Store below +30°C.
solubility water: slightly soluble
form Liquid
color Clear colorless
Relative polarity 0.265
PH 6.2 (50g/l, H2O, 20℃)
Odor at 0.10 % in propylene glycol. ethereal acetone
Odor Type ethereal
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).
Dielectric constant 17.3(14℃)
Stability Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong bases, reducing agents, strong oxidizing agents.
InChIKey FDPIMTJIUBPUKL-UHFFFAOYSA-N
LogP 0.85 at 25℃
CAS DataBase Reference 96-22-0(CAS DataBase Reference)
FDA UNII 9SLZ98M9NK
NIST Chemistry Reference 3-Pentanone(96-22-0)
EPA Substance Registry System 3-Pentanone (96-22-0)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS02,GHS07
Signal word  Danger
Hazard statements  H225-H319-H335-H336
Precautionary statements  P210-P233-P240-P241-P242-P305+P351+P338
Hazard Codes  F,Xi
Risk Statements  11-37-66-67
Safety Statements  9-16-25-33
RIDADR  UN 1156 3/PG 2
WGK Germany  1
RTECS  SA8050000
Autoignition Temperature 845 °F
TSCA  Yes
HS Code  2914 19 90
HazardClass  3
PackingGroup  II
Toxicity LD50 orally in rats: 2.1 g/kg, Smyth et al., Arch. Ind. Hyg. Occup. Med. 10, 61 (1954)
NFPA 704
3
1 0

3-Pentanone price More Price(25)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 8.03605 Diethyl ketone for synthesis 96-22-0 1L $60.9 2024-03-01 Buy
Sigma-Aldrich 8.03605 Diethyl ketone for synthesis 96-22-0 100ML $62.6 2024-03-01 Buy
Sigma-Aldrich 127604 3-Pentanone ReagentPlus , ≥99.0% (GC) 96-22-0 4l $263 2024-03-01 Buy
Sigma-Aldrich 127604 3-Pentanone ReagentPlus?, ≥99.0% (GC) 96-22-0 18L $692 2024-03-01 Buy
TCI Chemical P0061 3-Pentanone >98.0%(GC) 96-22-0 25mL $22 2024-03-01 Buy
Product number Packaging Price Buy
8.03605 1L $60.9 Buy
8.03605 100ML $62.6 Buy
127604 4l $263 Buy
127604 18L $692 Buy
P0061 25mL $22 Buy

3-Pentanone Chemical Properties,Uses,Production

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

3-Pentanone (also known as diethyl ketone) is a member of the class of compounds known as ketones. It is a colorless liquid ketone with an odor like that of acetone. It is soluble in about 25 parts water, but miscible with organic solvents.3-pentanone is an acetone and ethereal tasting compound and can be found in a number of food items such as strawberry guava, ceylon cinnamon, beech nut, and pak choy, which makes 3-pentanone a potential biomarker for the consumption of these food products.

Uses

3-Pentanone may be used to evaluate excess molar volumes of its binary mixtures with 1-chloroalkanes at 298.15K and atmospheric pressure.

Uses

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

Uses

3-Pentanone is mainly used as a solvent in paint and a precursor to vitamin E. It is used as a reagent to synthesize ethyl 2-cyano-3,3-diethylacrylate by Knoevenagel condensation. It also shows anticonvulsant effect in several types of mouse seizure models. It serves as an intermediate in the manufacture of pharmaceuticals.

Definition

ChEBI: Pentan-3-one is a pentanone that is pentane carrying an oxo group at position 3. It has been isolated from Triatoma brasiliensis and Triatoma infestans. It has a role as an animal metabolite.

General Description

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

Air & Water Reactions

Highly flammable. Slightly soluble in water

Reactivity Profile

3-Pentanone is incompatible with the following: Strong oxidizers, alkalis, mineral acids, (hydrogen peroxide + nitric acid) .

Health Hazard

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.

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.

Flammability and Explosibility

Highly flammable

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.

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.

Global( 321)Suppliers
Supplier Tel Email Country ProdList Advantage
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View Lastest Price from 3-Pentanone manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3-Pentanone pictures 2023-08-24 3-Pentanone
96-22-0
US $0.00 / KG 1KG 99% 50000KG/month Hebei Mojin Biotechnology Co., Ltd
3-Pentanone pictures 2023-07-27 3-Pentanone
96-22-0
US $1.10 / g 1g 99.0% Min 100 Tons Shaanxi Didu New Materials Co. Ltd
3-Pentanone pictures 2021-04-22 3-Pentanone
96-22-0
US $10.00 / PCS 1KG 99% 100 mt Hebei Guanlang Biotechnology Co., Ltd.
  • 3-Pentanone pictures
  • 3-Pentanone
    96-22-0
  • US $0.00 / KG
  • 99%
  • Hebei Mojin Biotechnology Co., Ltd
  • 3-Pentanone pictures
  • 3-Pentanone
    96-22-0
  • US $1.10 / g
  • 99.0% Min
  • Shaanxi Didu New Materials Co. Ltd
  • 3-Pentanone pictures
  • 3-Pentanone
    96-22-0
  • US $10.00 / PCS
  • 99%
  • Hebei Guanlang Biotechnology Co., Ltd.
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