| | 2-Heptanone Basic information |
| | 2-Heptanone Chemical Properties |
| Melting point | -35 °C (lit.) | | Boiling point | 149-150 °C (lit.) | | density | 0.82 g/mL at 25 °C (lit.) | | vapor density | 3.94 (vs air) | | vapor pressure | 2.14 mm Hg ( 20 °C) | | refractive index | n20/D 1.408(lit.) | | FEMA | 2544 | 2-HEPTANONE | | Fp | 106 °F | | storage temp. | Store below +30°C. | | solubility | water: soluble4.21 g/L at 20°C | | form | Liquid | | color | Clear colorless | | Odor | at 10.00 % in dipropylene glycol. fruity spicy sweet herbal coconut woody | | Odor Threshold | 0.0068ppm | | Odor Type | cheesy | | explosive limit | 1.11-7.9%(V) | | Water Solubility | 4.3 g/L (20 ºC) | | Merck | 14,4663 | | JECFA Number | 283 | | BRN | 1699063 | | Henry's Law Constant | 3.59 at 37 °C (static headspace-GC, Bylaite et al., 2004) | | Exposure limits | TLV-TWA 235 mg/m3 (50 ppm) (ACGIH),
465 mg/m3 (100 ppm) (NIOSH).
. | | Stability: | Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases. | | LogP | 2.26 at 30℃ | | CAS DataBase Reference | 110-43-0(CAS DataBase Reference) | | NIST Chemistry Reference | 2-Heptanone(110-43-0) | | EPA Substance Registry System | 2-Heptanone (110-43-0) |
| Hazard Codes | Xn | | Risk Statements | 22-38-40-48/20/22-20/22-10 | | Safety Statements | 36-24/25 | | RIDADR | UN 2810 6.1/PG 3 | | WGK Germany | 2 | | RTECS | MJ5250000 | | Autoignition Temperature | 739 °F | | TSCA | Yes | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29141990 | | Hazardous Substances Data | 110-43-0(Hazardous Substances Data) | | Toxicity | LD50 orally in Rabbit: 1670 mg/kg LD50 dermal Rabbit 10332 mg/kg | | IDLA | 800 ppm |
| | 2-Heptanone Usage And Synthesis |
| Description | 2-Heptanone has a characteristic banana, slightly spicy odor2-Heptanone may be prepared by oxidation of methyl n-amyl
carbinol; also from n-amyl propionic acid or from ethyl butyl
acetat. | | Chemical Properties | 2-Heptanone has a fruity, spicy, cinnamon, banana, slightly spicy odor. | | Chemical Properties | colourless liquid | | Chemical Properties | Methyl amyl ketone is a clear colorless liquid
with a mild, banana-like odor. | | Physical properties | Colorless liquid with a banana-like odor. Can be detected at a concentration of 140 μg/kg (Buttery
et al., 1969a). Cometto-Mu?iz et al. (2000) reported nasal pungency threshold concentrations
ranging from approximately 195 to 935 ppm. An odor threshold concentration of 6.8 ppbv was
reported by Nagata and Takeuchi (1990). | | Occurrence | Reported found in clove essential oil, Ceylon cinnamon and rancid coconut oil; also identifed in Ruta Montana Also reported found in banana, lingonberry, loganberry, black currant, guava, grapes, papaya, peach, pear, raspberry, other berries, strawberry jam, asparagus, roasted onion, leek, baked potato, mushroom, clove bud, ginger, blue, cheddar and Swiss cheeses, milk, cream, butter, fsh, meats, hop oil, beer, brandy, rum, malt whiskey, grape wines, cocoa, coffee, tea, peanuts, pecans, walnut, oats, soybeans, coconut oil, olive, passion fruit, mango, fgs, rice, sweet corn, corn tortillas, malt, caviar, shrimp, oysters, crab, crayfsh and mate | | Uses | Organic solvent | | Uses | 2-Heptanone is used as an industrial solvent; a solvent for
synthetic resin finishes; an inert reaction medium; a flavor
ingredient in foods; a fragrance ingredient in creams, lotions,
perfumes, soaps, and detergents. | | Uses | Solvent for nitrocellulose lacquers, synthetic
flavoring, perfumery. | | Uses | Methyl amyl ketone is used as a flavoringagent and as a solvent in lacquers andsynthetic resins. | | Definition | ChEBI: A dialkyl ketone with methyl and pentyl as the alkyl groups. | | Preparation | By oxidation of methyl n-amyl carbinol; also from n-amyl propionic acid or from ethyl butyl acetate. | | Aroma threshold values | Detection: 1 ppb to 1.33 ppm; recognition: 2.66 to 3.73 ppm; aroma characteristics at 1.0%: cheesy ketonic, slightly green waxy, banana fruity. | | Taste threshold values | Taste characteristics at 20 ppm: cheesy, fruity, coconut, waxy green, creamy, fungal with buttery and brown fruity nuances. | | Synthesis Reference(s) | Canadian Journal of Chemistry, 58, p. 2271, 1980 DOI: 10.1139/v80-365
Tetrahedron Letters, 35, p. 8835, 1994 DOI: 10.1016/S0040-4039(00)78511-X
Journal of the American Chemical Society, 102, p. 1047, 1980 DOI: 10.1021/ja00523a023 | | General Description | A clear colorless liquid. Flash point 126°F. Less dense than water and only slightly soluble in water. Hence floats on water. Vapors heavier than air. Density 6.8 lb / gal. Used as a synthetic flavoring and in perfumes. | | Air & Water Reactions | Flammable. Slightly soluble in water. | | Reactivity Profile | 2-Heptanone reacts exothermically with many acids and bases to produce flammable gases (e.g., H2). The 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 and heat. Incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. Incompatible with many oxidizing agents including nitric acid, nitric acid/hydrogen peroxide mixture, and perchloric acid. May form peroxides [USCG, 1999]. | | Hazard | Moderate fire risk. Toxic by inhalation, skin
and eye irritant, narcotic in high concentration. | | Health Hazard | Inhalation can cause headache, fatigue, nausea, vomiting, dizziness, stupor, drowsiness, disturbed vision, and unconsciousness. Skin contact can cause moderate irritation, defatting, and dermatitis. Ingestion may cause irritation of lips and mouth, gastro-intestinal irritation, nausea, diarrhea, drowsiness, loss of consciousness, weak and rapid pulse, cold-pale complexion. | | Health Hazard | Exposure to methyl amyl ketone causedirritation of mucous membranes, mild tomoderate congestion of the lungs, and narcosis in test animals. A 4-hour exposure to a4000-ppm concentration in air was lethal torats; 1500–2000 ppm produced lung irritation and narcosis. The concentration at whichit produces similar symptoms in humans isnot known.
The oral toxicity of this compound is low.Its irritant action on skin should be low tovery low.
LD50 value, oral (mice): 730 mg/kg. | | Fire Hazard | Combustible liquid, flash point (closed cup)
39.9°C (102°F), (open cup) 48.9°C (12°F);
vapor density 3.9 (air = 1) vapor pressure
2.6 torr at 20°C (68°F); autoignition temperature 393°C (740°F); fire-extinguishing agent:
“alcohol” foam; a water spray may be used
to cool below its flash point.
Methyl amyl ketone forms an explosive
mixture with air in the range 1.1% [at 66°C
(150.8°F)] to 7.9% [at 121°C (249.8°F)] by
volume. It can react explosively with strong
acids, alkalies, and oxidizing agents. | | Flammability and Explosibility | Flammable | | Safety Profile | Moderately toxic by
ingestion. Mildly toxic by inhalation and skin
contact. A skin irritant. A flammable liquid
when exposed to heat or flame; can react
with oxidizing materials. To fight fire, use
foam, CO2, dry chemical. When heated to
decomposition it emits acrid smoke and
fumes. See also KETONES. | | Source | Identified as one of 140 volatile constituents in used soybean oils collected from a
processing plant that fried various beef, chicken, and veal products (Takeoka et al., 1996). Also identified as a volatile constituent released by fresh coffee beans (Coffea canephora variety
Robusta and Coffea arabica) at different stages of ripeness (Mathieu et al., 1998). | | Environmental fate | Biological. Heukelekian and Rand (1955) reported a 10-d BOD value of 0.50 g/g which is
17.8% of the ThOD value of 2.81 g/g.
Chemical/Physical. Atkinson et al. (2000) studied the kinetic and products of the gas-phase
reaction of 2-heptanone with OH radicals in purified air at 25 °C and 740 mmHg. A relative rate
constant of 1.17 x 10-11 cm3/molecule·sec was calculated for this reaction. Reaction products
identified by GC, FTIR, and atmospheric pressure ionization tandem mass spectroscopy were
(with respective molar yields): formaldehyde, 0.38; acetaldehyde, λ0.05; propanal, λ0.05; butanal,
0.07; pentanal, 0.09; and molecular weight 175 organic nitrates.
2-Heptanone will not hydrolyze because it does not contain a hydrolyzable functional group.
Burns in air releasing carbon monoxide and carbon dioxide. | | Shipping | UN1110 n-Amyl Methyl ketone, Hazard Class: 3;
Labels: 3-Flammable liquid. | | Toxicity evaluation | 2-Heptanone is metabolized in the liver and causes toxicity by
oxidative and free radical mechanisms. It is known to potentiate
both nephrotoxic and hepatotoxic effects of halogenated
hydrocarbons. | | 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. |
| | 2-Heptanone Preparation Products And Raw materials |
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