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| | 3-Heptanone Basic information |
| | 3-Heptanone Chemical Properties |
| 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 | n20/D 1.408(lit.) | | Fp | 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).
. | | 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) |
| | 3-Heptanone Usage And Synthesis |
| 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. | | Chemical Properties | colourless liquid | | Chemical Properties | Ethyl butyl ketone is a colorless liquid with a
powerful, fruity odor. | | 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 | Solvent and intermediate for organic
materials | | 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. | | Uses | Solvent mix for air-dried and baked finishes,
for polyvinyl and nitrocellulose resins. | | Uses | Ethyl butyl ketone is used as a solvent fornitrocellulose and polyvinyl resins, and as anintermediate in organic synthesis. | | 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. | | Aroma threshold values | Detection: 7 5 to 160 ppb. | | Taste threshold values | Taste 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 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. | | Health Hazard | Inhalation 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 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. | | 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 |
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