4-Heptanone
- CAS No.
- 123-19-3
- Chemical Name:
- 4-Heptanone
- Synonyms
- dpk;JIK;-32℃;TAOK3;MAP3K18;143-145℃;FLJ31808;BUTYRONE;FEMA 2546;FEMA 2544
- CBNumber:
- CB4487971
- Molecular Formula:
- C7H14O
- Molecular Weight:
- 114.19
- MOL File:
- 123-19-3.mol
- MSDS File:
- SDS
- Modify Date:
- 2025/1/27 9:38:02
| Melting point | -33 °C (lit.) |
|---|---|
| Boiling point | 145 °C (lit.) |
| Density | 0.817 g/mL at 25 °C (lit.) |
| vapor density | 3.94 (vs air) |
| vapor pressure | 5.2 mm Hg ( 20 °C) |
| refractive index |
n |
| FEMA | 2546 | 4-HEPTANONE |
| Flash point | 120 °F |
| storage temp. | Store below +30°C. |
| solubility | H2O: insoluble |
| form | Liquid |
| color | Clear colorless to light yellow |
| Odor | at 10.00 % in dipropylene glycol. fruity cheese sweet cognac pineapple |
| Odor Type | fruity |
| biological source | synthetic |
| explosive limit | 1%(V) |
| Water Solubility | 4.6 g/L (20 ºC) |
| Merck | 14,3345 |
| JECFA Number | 287 |
| BRN | 1699049 |
| Specific Activity | 221-299nmol/min·mg |
| Dielectric constant | 12.6（17℃） |
| Exposure limits | TLV-TWA 235 mg/m3 (50 ppm) (NIOSH). |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. |
| InChIKey | HCFAJYNVAYBARA-UHFFFAOYSA-N |
| LogP | 1.97 |
| CAS DataBase Reference | 123-19-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Heptanone(123-19-3) |
| EPA Substance Registry System | 4-Heptanone (123-19-3) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H226-H332 | |||||||||
| Precautionary statements | P210-P233-P240-P241-P242-P304+P340+P312 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 10-20/22-20-R20-R10-2017/10/20 | |||||||||
| Safety Statements | 24/25-S24/25 | |||||||||
| RIDADR | UN 2710 3/PG 3 | |||||||||
| OEB | A | |||||||||
| OEL | TWA: 50 ppm (235 mg/m3) | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | MJ5600000 | |||||||||
| Autoignition Temperature | 430 °C | |||||||||
| TSCA | Yes | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29141900 | |||||||||
| Hazardous Substances Data | 123-19-3(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 orally in Rabbit: 3021 mg/kg LD50 dermal Rabbit 4585 mg/kg | |||||||||
| NFPA 704 |
|
4-Heptanone price More Price(12)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | W254606 | 4-Heptanone ≥97%, FG | 123-19-3 | 1SAMPLE | ₹5141.88 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W254606 | 4-Heptanone ≥97%, FG | 123-19-3 | 1KG | ₹29086.78 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W254606 | 4-Heptanone ≥97%, FG | 123-19-3 | 4KG | ₹70773.85 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W254606 | 4-Heptanone ≥97%, FG | 123-19-3 | 8KG | ₹115394.5 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | SRP5239 | TAOK3 (1-463), active, GST tagged human PRECISIO? Kinase, recombinant, expressed in baculovirus infected Sf9 cells, ≥70% (SDS-PAGE), buffered aqueous glycerol solution | 253873-53-9 | 10μG | ₹50149.8 | 2022-06-14 | Buy |
4-Heptanone Chemical Properties,Uses,Production
Description
4-Heptanone has a penetrating odor and burning taste. It is prepared by passing butyric acid over a wood coal at 425°C and then over cerium oxide at 500°C or over thorium oxide; also over manganese oxide at 400 - 425°C.
Chemical Properties
4-Heptanone has a penetrating odor and burning taste.
Chemical Properties
4-Heptanone is a colourless liquid. Sp.Gr. 0.82. B.P. 144℃. 0.5% soluble in water, miscible with alcohol and oils. Powerful and diffusive ethereal-fruity, pungent odor, in dilution reminiscent of Pineapple-Strawberry. Fruity, Strawberry type flavor, but not really sweet, and lacks naturalness.
Occurrence
Reported found in apple juice, papaya, pear, cabbage, baked potato, roasted peanut, chicken fat, coffee, bachang (Mangifera foetida L ) and rooibus tea (Aspalathius linearis)
Uses
4-Heptanone is used as a solvent for nitrocellulose as well as in organic synthesis. It is involved in the preparation of flavorings. It is used as an intermediate in the synthesis of active pharmaceutical ingredients. Further, it is used in paints and coatings.
Preparation
By passing butyric acid over wood coal at 425°C and then over cerium oxide at 500°C or over thorium oxide; also over manganese oxide at 400 to 425°C.
General Description
A colorless liquid with a pleasant odor. Insoluble in water and less dense than water. Flash point 120°F. Toxic by inhalation. A skin irritant. Used to make flavorings and as a solvent.
Air & Water Reactions
Flammable. Insoluble in water.
Reactivity Profile
4-Heptanone is incompatible with the following: Oxidizers .
Health Hazard
Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
Fire Hazard
Combustible liquid; flash point (closed cup) 49°C (120°F); vapor density 3.9 (air = 1); vapor pressure 5.2 torr at 20°C (68°F); fireextinguishing agent: “alcohol” foam or water spray. DPK forms explosive mixtures with air; LEL and UEL values have not been reported. It is incompatible with strong acids, alkalies, and oxidizers. .
Safety Profile
and skin contact. A skin and eye irritant. Flammable liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use CO2, dry chemical, alcohol foam, fog, and mist. When heated to decomposition it emitsacrid smoke and fumes. See also KETONES.
Metabolism
When 950 mg methyl amyl ketone/kg body weight was administered orally to rabbits, 40% was excreted as heptyl-2-glucuronide, and traces of the unchanged ketone were also found in the urine (Kamil, Smith & Williams, 1953). 2-Heptanone (methyl amyl ketone) was identified as being among the approximately 300 compounds present in the volatile constituents of urine from male and female subjects (Zlatkis & Liebich, 1971).
Purification Methods
Dry 4-pentanone with CaSO4, then distil it from P2O5 under nitrogen. [Beilstein 1 IV 3323.]
Waste Disposal
DPK is burned in a chemical incineratorequipped with an afterburner and scrubber.
4-Heptanone Preparation Products And Raw materials
Raw materials
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chevron_rightPreparation Products
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| Freesia Chemicals | +9102225689889 | Mumbai, India | 45 | 58 | Inquiry |
| Kubo Combustion Efficiency Chemicals Pvt Ltd | +91-2224167589 +91-2235912360 | Maharashtra, India | 9 | 58 | Inquiry |
| Kubo Combustion Efficiency Chemicals Private Limited | +91 22 2413 7589 | Mumbai, India | 11 | 58 | Inquiry |
| CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6257 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6768 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6905 | 58 | Inquiry |
| Triveni chemicals | 08048762458 | New Delhi, India | 6088 | 58 | Inquiry |
| Antares Chem Private Limited | 08048957399 | Mumbai, India | 179 | 58 | Inquiry |
| HiMedia Laboratories | 91-22-61471919 | Maharashtra, India | 1841 | 58 | Inquiry |
| Santo Righello Pvt. Ltd | 91-9885571757 | Hyderabad, India | 918 | 58 | Inquiry |
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