ChemicalBook > Product Catalog > Flavors and fragrances > Synthetic fragrances > Ketones spices > Acyclic aliphatic Ketones > 3-Heptanone
3-Heptanone Chemical Properties
- Melting point:-39 °C
- 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
- Water Solubility 3.3 g/L (20 ºC)
- JECFA Number285
- BRN 506161
- Henry's Law Constant4.38 x 10-4(atm?m3/mol) at 37 °C (static headspace-GC, Bylaite et al., 2004)
- Exposure limitsTLV-TWA 230 mg/m3 (50 ppm) (ACGIH); IDLH 3000 ppm (NIOSH). .
- 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.
- CAS DataBase Reference106-35-4(CAS DataBase Reference)
- NIST Chemistry Reference3-Heptanone(106-35-4)
- EPA Substance Registry System3-Heptanone (106-35-4)
- Hazard Codes Xn,Xi
- Risk Statements 22-38-40-48/20/22-36-20-10
- Safety Statements 36-24-36/37-24/25
- RIDADR UN 2810 6.1/PG 3
- WGK Germany 2
- RTECS MJ5250000
- Hazard Note Irritant
- TSCA Yes
- HazardClass 3
- PackingGroup III
- HS Code 29141990
- Hazardous Substances Data106-35-4(Hazardous Substances Data)
- ToxicityAcute oral LD50 for rats 2,760 mg/kg (quoted, RTECS, 1985).
3-Heptanone Usage And Synthesis
- Description3-Heptanone has a powerful, green, fatty, fruity odor and a melon, banana flavor. Prepared from n-hept-2-one by hydration.
- Chemical Properties3-Heptanone has a fruity, green, fatty, sweet, ethereal, powerful odor and a melon, banana favor.
- Chemical Propertiescolourless liquid
- Chemical PropertiesEthyl butyl ketone is a colorless liquid with a powerful, fruity odor.
- OccurrenceReported 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
- UsesEthyl butyl ketone is used as a solvent fornitrocellulose and polyvinyl resins, and as anintermediate in organic synthesis.
- UsesSolvent and intermediate for organic materials
- UsesSolvent mix for air-dried and baked finishes, for polyvinyl and nitrocellulose resins.
- DefinitionChEBI: A dialkyl ketone with butyl and ethyl as the two alkyl groups.
- Production MethodsEnBK 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.
- PreparationFrom n-hept-2-one by hydration.
- Aroma threshold valuesDetection: 7 5 to 160 ppb.
- Taste threshold valuesTaste characteristics at 50 ppm: ketonic, with a cheese-like creamy character.
- Synthesis Reference(s)Journal of the American Chemical Society, 94, p. 1788, 1972 DOI: 10.1021/ja00760a084
Tetrahedron Letters, 23, p. 2379, 1982 DOI: 10.1016/S0040-4039(00)87347-5
Synthetic Communications, 22, p. 1589, 1992 DOI: 10.1080/00397919208021632
- General DescriptionColorless odorless liquid with a mild fruity odor. Flash point 140°F.
- Air & Water ReactionsFlammable.
- Reactivity Profile3-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].
- HazardModerate fire risk.
- Health HazardShort term exposure can cause irritation of eyes, nose, throat and lungs. High concentrations may cause headache, dizziness or unconsciousness.
- Health HazardInhalation of the vapor of ethyl butyl ketonecan cause irritation to the eyes, skin, andmucous membranes. Its irritation effect wasmild on rabbit skin and eyes. Prolonged skincontact can cause dermatitis. Exposure to4000 ppm for 4 hours proved fatal to rats.Ingestion can cause headache and narcosis,and in large doses coma can occur.
LD50 value, oral (rats): 2760 mg/kg.
- Fire HazardSpecial Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.
- Safety ProfileModerately 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 ExposureEthyl 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 FateChemical/Physical. 3-Heptanone will not hydrolyze because it has no hydrolyzable functional group.
- ShippingUN1224 Ketones, liquid, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid, Technical Name Required.
- IncompatibilitiesMay form explosive mixture with air. Violent reaction with strong oxidizers, acetaldehyde, perchloric acid. Attacks some plastics, rubber and coatings
- Waste DisposalDissolve 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
- 2-ACETYL-1,3-CYCLOHEXANEDIONE Cyclopentadecanone L(-)-Carvone 4-CARBETHOXY-2-ETHYL-3-METHYL-2-CYCLOHEXEN-1-ONE Jasmone 3-Heptanone Ethanol 2-Butanone oxime Butyl acetate Cyhalofop-butyl Ethylparaben ISOXADIFEN-ETHYL Ethyl acetate 6-Methyl-5-hepten-2-one Buprofezin 5-Nonanone 2-Butanone 17alpha-Ethynyl-19-nortestosterone 17-heptanoate
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