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
- Molecular Weight:
- 86.13
- MOL File:
- 96-22-0.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/3/14 15:18:26
| 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 |
| 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) |
| NIST Chemistry Reference | 3-Pentanone(96-22-0) |
| EPA Substance Registry System | 3-Pentanone (96-22-0) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   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 | |||||||||
| OEB | A | |||||||||
| OEL | TWA: 200 ppm (705 mg/m3) | |||||||||
| 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-Pentanone price More Price(13)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | W510106 | 3-Pentanone ≥99% | 96-22-0 | 1SAMPLE | ₹5141.88 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W510106 | 3-Pentanone ≥99% | 96-22-0 | 1KG | ₹6852.23 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W510106 | 3-Pentanone ≥99% | 96-22-0 | 4KG | ₹16118.43 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W510106 | 3-Pentanone ≥99% | 96-22-0 | 8KG | ₹24886.68 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 127604 | 3-Pentanone ReagentPlus?, ≥99.0% (GC) | 96-22-0 | 500ML | ₹3225.85 | 2022-06-14 | Buy |
3-Pentanone Chemical Properties,Uses,Production
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 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
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.
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
3-Pentanone's two synthesis methods : 1) from Propyl alcohol. 2) from Propionic acid.
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.
3-Pentanone Preparation Products And Raw materials
Raw materials
Preparation Products
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|---|---|---|---|---|---|
| Freesia Chemicals | +9102225689889 | Mumbai, India | 45 | 58 | Inquiry |
| SHYAMAL LIFE SCIENCE PVT LTD | +91-9824420566 +91-9824420566 | Gujarat, India | 12 | 58 | Inquiry |
| JSK Chemicals | +919879767970 | Gujarat, India | 3756 | 58 | Inquiry |
| Dodhia Group | +91-9619867345 +91-9619867345 | Mumbai, India | 129 | 58 | Inquiry |
| BASF India Limited | +91-2262785600 +91-2262785600 | Maharashtra, India | 209 | 58 | Inquiry |
| Kubo Combustion Efficiency Chemicals Pvt Ltd | +91-2224167589 +91-2235912360 | Maharashtra, India | 9 | 58 | Inquiry |
| Bioaltus Laboratories Pvt Ltd | +91-2249744539 +91-9820139885 | Maharashtra, India | 34 | 58 | Inquiry |
| Otto Chemie Pvt. Ltd. | +91 9820041841 | Mumbai, India | 5873 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| Freesia Chemicals | 58 |
| SHYAMAL LIFE SCIENCE PVT LTD | 58 |
| JSK Chemicals | 58 |
| Dodhia Group | 58 |
| BASF India Limited | 58 |
| Kubo Combustion Efficiency Chemicals Pvt Ltd | 58 |
| Bioaltus Laboratories Pvt Ltd | 58 |
| Otto Chemie Pvt. Ltd. | 58 |
| TCI Chemicals (India) Pvt. Ltd. | 58 |
| A.J Chemicals | 58 |
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