3-Heptanone
- CAS No.
- 106-35-4
- Chemical Name:
- 3-Heptanone
- Synonyms
- HEPTAN-3-ONE;ETHYL BUTYL KETONE;3-Heptanon;heptane-3-one;Butyl Ethanone;n-Heptan-3-one;heptan-3-;FEMA 2545;Heptan-3-on;3-HEPTANONE
- CBNumber:
- CB0852672
- Molecular Formula:
- C7H14O
- Molecular Weight:
- 114.19
- MOL File:
- 106-35-4.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/3/14 15:18:25
| Melting point | -39 °C (lit.) |
|---|---|
| Boiling point | 146-149 °C (lit.) |
| Density | 0.818 g/mL at 25 °C (lit.) |
| vapor pressure | 1.4 at 25 °C (quoted, Verschueren, 1983) |
| FEMA | 2545 | 3-HEPTANONE |
| refractive index |
n |
| Flash point | 106 °F |
| storage temp. | Flammables area |
| solubility | 4.3g/l |
| form | Liquid |
| color | Clear slightly yellow |
| Odor | at 1.00 % in dipropylene glycol. powerful green fatty fruity |
| Odor Type | green |
| Water Solubility | 3.3 g/L (20 ºC) |
| JECFA Number | 285 |
| BRN | 506161 |
| Henry's Law Constant | 4.38 x 10-4(atm?m3/mol) at 37 °C (static headspace-GC, Bylaite et al., 2004) |
| Exposure limits | TLV-TWA 230 mg/m3 (50 ppm) (ACGIH); IDLH 3000 ppm (NIOSH). . |
| Dielectric constant | 12.9（22℃） |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. May form peroxides in storage if in contact with air - store under inert gas. |
| LogP | 1.97 |
| CAS DataBase Reference | 106-35-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Heptanone(106-35-4) |
| EPA Substance Registry System | 3-Heptanone (106-35-4) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H226-H315-H319-H332 | |||||||||
| Precautionary statements | P210-P233-P240-P303+P361+P353-P304+P340+P312-P305+P351+P338 | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 22-38-40-48/20/22-36-20-10 | |||||||||
| Safety Statements | 36-24-36/37-24/25 | |||||||||
| OEB | A | |||||||||
| OEL | TWA: 50 ppm (230 mg/m3) | |||||||||
| RIDADR | UN 2810 6.1/PG 3 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | MJ5250000 | |||||||||
| Hazard Note | Irritant | |||||||||
| TSCA | Yes | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29141990 | |||||||||
| Toxicity | Acute oral LD50 for rats 2,760 mg/kg (quoted, RTECS, 1985). | |||||||||
| IDLA | 1,000 ppm | |||||||||
| NFPA 704 |
|
3-Heptanone price More Price(7)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | W254509 | 3-Heptanone 96% | 106-35-4 | 1SAMPLE-K | ₹5141.88 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W254509 | 3-Heptanone 96% | 106-35-4 | 1KG | ₹35105.48 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | H6511 | 3-Heptanone 98% | 106-35-4 | 250ML | ₹11561.1 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | H6511 | 3-Heptanone 98% | 106-35-4 | 1L | ₹43992.8 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 90046 | 3-Heptanone analytical standard | 106-35-4 | 1ML | ₹8064.63 | 2022-06-14 | Buy |
3-Heptanone Chemical Properties,Uses,Production
Description
3-Heptanone has a powerful, green, fatty, fruity odor and a melon, banana flavor. Prepared from n-hept-2-one by hydration.
Chemical Properties
3-Heptanone has a fruity, green, fatty, sweet, ethereal, powerful odor and a melon, banana favor.
Occurrence
Reported found in apple juice, banana, peach, pear, spearmint oil, Parmesan cheese, butter, cream, lean fsh, fsh oil, roasted chicken, cooked beef, coffee, peanut oil, pecan, yellow passion fruit, plumcot, beans, plum brandy, sesame seed, mango and cooked shrimps
Uses
3-Heptanone is a seven carbon ketone with a "fruity" scent. It is often used as a perfume/fragrance industry and can also be applied as a solvent.
Production Methods
EnBK is produced either by catalytic dehydrogenation of 3-heptanol or by hydrogenation of the mixed alcohol condensation product of propionaldehyde and methyl ethyl ketone. Commercial samples can be 95% pure.
Preparation
From n-hept-2-one by hydration.
Definition
ChEBI: A dialkyl ketone with butyl and ethyl as the two alkyl groups.
General Description
Colorless odorless liquid with a mild fruity odor. Flash point 140°F.
Air & Water Reactions
Flammable.
Reactivity Profile
3-Heptanone is reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion. Reacts with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. May react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. Irritating vapors and toxic gases may be formed when involved in fire [USCG, 1999].
Hazard
Moderate fire risk.
Health Hazard
Short term exposure can cause irritation of eyes, nose, throat and lungs. High concentrations may cause headache, dizziness or unconsciousness.
Fire Hazard
Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.
Safety Profile
Moderately toxic by ingestion and inhalation. A skin and eye irritant. A flammable liquid. Can react with oxidizing materials. To fight fire, use foam, Co2, dry chemical. See also KETONES.
Potential Exposure
Ethyl butyl ketone is used as a solvent and as an intermediate in organic synthesis. It is a solvent for vinyl and nitrocellulose resins. It is used in food flavoring
Environmental Fate
Chemical/Physical. 3-Heptanone will not hydrolyze because it has no hydrolyzable functional group.
Solubility in organics
Insoluble in water, soluble in alcohol, miscible with oils.
Shipping
UN1224 Ketones, liquid, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid, Technical Name Required.
Incompatibilities
May form explosive mixture with air. Violent reaction with strong oxidizers, acetaldehyde, perchloric acid. Attacks some plastics, rubber and coatings
Waste Disposal
Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed
3-Heptanone Preparation Products And Raw materials
Raw materials
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chevron_rightPreparation Products
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