3-Pentanone
- CAS No.
- 96-22-0
- Chemical Name:
- 3-Pentanone
- Synonyms
- PENTAN-3-ONE;DIETHYL KETONE;DEK;ETHYL KETONE;3-Pentanon;PROPIONE;Pentan-3-on;Ethyl propionyl;DIMETHYLACETONE;ketone,3-Pentanone
- CBNumber:
- CB5270897
- Molecular Formula:
- C5H10O
Lewis structure
- Molecular Weight:
- 86.13
- MDL Number:
- MFCD00009320
- MOL File:
- 96-22-0.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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 |
n |
| FLAVIS Number | 07.084 | Pentan-3-one |
| 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 |
| biological source | synthetic |
| explosive limit | 1.6-7.7%(V) |
| Water Solubility | 50 g/L (20 ºC) |
| Thermal Conductivity | 0.144 W/(m·K) at 25 ℃ |
| Specific Heat Capacity | Cp(liquid): 2.22 J/(g·K), at 25℃ |
| Merck | 14,3121 |
| BRN | 635749 |
| Henry's Law Constant | 8.9×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Exposure limits | PC-TWA:700 mg/m3; PC-STEL:900 mg/m3 |
| Dielectric constant | 17.3(14℃) |
| Stability | Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong bases, reducing agents, strong oxidizing agents. |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3 |
| InChIKey | FDPIMTJIUBPUKL-UHFFFAOYSA-N |
| SMILES | CCC(=O)CC |
| 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) |
| UNSPSC Code | 77101502 |
| NACRES | NA.24 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS02,GHS07,GHS08 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H303+H313-H316-H319-H370-H335-H336-H305-H225 | |||||||||
| Precautionary statements | P501-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P331-P337+P313-P305+P351+P338-P308+P311-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405 | |||||||||
| target organs | Central nervous system, Respiratory system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | F,Xi | |||||||||
| Risk Statements | 11-37-66-67 | |||||||||
| Safety Statements | 9-16-25-33 | |||||||||
| OEB | A | |||||||||
| OEL | TWA: 200 ppm (705 mg/m3) | |||||||||
| RIDADR | UN 1156 | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | SA8050000 | |||||||||
| Autoignition Temperature | 845 °F | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 2914 19 90 | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 2 STOT SE 3 |
|||||||||
| 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) | |||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704 |
|
3-Pentanone price More Price(36)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | W510106 | 3-Pentanone ≥99% | 96-22-0 | 1 each | $58 | 2026-04-30 | Buy |
| Sigma-Aldrich | 8.03605 | Diethyl ketone for synthesis | 96-22-0 | 1L | $67.5 | 2026-04-30 | Buy |
| Sigma-Aldrich | 8.03605 | Diethyl ketone for synthesis | 96-22-0 | 100ML | $67.9 | 2026-04-30 | Buy |
| Sigma-Aldrich | 127604 | 3-Pentanone ReagentPlus , ≥99.0% (GC) | 96-22-0 | 4l | $285 | 2026-04-30 | Buy |
| Sigma-Aldrich | 127604 | 3-Pentanone ReagentPlus?, ≥99.0% (GC) | 96-22-0 | 18L | $766 | 2026-04-30 | 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
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
3-Pentanone is 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
Liquid causes eye burn. Vapor irritates eyes, nose and throat; can cause headache, dizziness, nausea, weakness, and loss of consciousness.
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.
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
Synthesis
3-Pentanone's two synthesis methods : 1) from Propyl alcohol. 2) from Propionic acid.
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.
Shipping
3-Pentanone 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.
3-Pentanone Preparation Products And Raw materials
Raw materials
Preparation Products
1of4
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Bente Chemical Co., Ltd. | 13761726461 | 13761726461@163.com | China | 97 | 58 |
| SHANGHAI BANGCHENG CHEMICAL Co.,Ltd. | 021-69106960 13701823997 | 13701823733@163.com | China | 4634 | 60 |
| Shandong Qianyuan Polymer Material Co. , Ltd. | 18678041314 18765609661 | 2547772582@qq.com | China | 987 | 58 |
| Wuhan Xinyang Ruihe Chemical Technology Co., Ltd. | 13720181483 13720181483 | 366443693@QQ.COM | China | 997 | 58 |
| AstaTech (Chengdu) Pharma. Co., Ltd. | 15928766785 15928766785 | wupengcheng@astatech.cn | China | 1998 | 55 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Jia Xing Isenchem Co.,Ltd | 0573-85285100 18627885956 | isenchem@163.com | China | 9389 | 66 |
Related articles
- 3-Pentanone:Uses, Synthesis and Hazards
- 3-Pentanone (also known as diethyl ketone) is a simple, symmetrical dialkyl ketone.
- Nov 4,2024
View Latest Price from 3-Pentanone manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-05-15 | 3-Pentanone
96-22-0
|
$1.10 | 1g | 99.0% Min | 100 Tons | Shaanxi Didu New Materials Co. Ltd | |
 |
2026-03-20 | 3-Pentanone
96-22-0
|
$10.00 | 1kg | 99% | 100 mt | Hebei Chuanghai Biotechnology Co., Ltd | |
 |
2020-01-01 | 3-Pentanone
96-22-0
|
$1.00 | 1KG | 99% | 10000KGS | Career Henan Chemical Co |
-
- 3-Pentanone
96-22-0
- $1.10
- 99.0% Min
- Shaanxi Didu New Materials Co. Ltd
-
- 3-Pentanone
96-22-0
- $10.00
- 99%
- Hebei Chuanghai Biotechnology Co., Ltd
-
- 3-Pentanone
96-22-0
- $1.00
- 99%
- Career Henan Chemical Co
