2-ヘプタノン

外観

無色澄明の液体

溶解性

水に難溶 (0.43g/100g水), 各種有機溶剤に可溶。エタノール及びアセトンに溶けやすく、水に溶けにくい。

用途

香料中に微量使用。変調剤として使用リンゴ、バナナ、モモ、パイナップル、イチゴなどのフレーバー、溶剤、ニトロセルロースラッカー用溶剤、合成着色料

説明

2-Heptanone has a characteristic banana, slightly spicy odor. It may be prepared by oxidation of methyl n-amyl carbinol; also from n-amyl propionic acid or from ethyl butyl acetat.

化学的特性

2-Heptanone is a clear colorless liquid with a fruity, spicy, cinnamon, banana, slightly spicy odor. The ketone 2-heptanone is a polar molecular compound with dipole-dipole attractions between the molecules.

物理的性質

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 ppb_v was reported by Nagata and Takeuchi (1990).

天然物の起源

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

使用

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.

製造方法

By oxidation of methyl n-amyl carbinol; also from n-amyl propionic acid or from ethyl butyl acetate.

定義

ChEBI: Heptan-2-one is a dialkyl ketone with methyl and pentyl as the alkyl groups. It has a role as a pheromone and a mouse metabolite. It is a dialkyl ketone and a methyl ketone.

一般的な説明

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.

空気と水の反応

Flammable. Slightly soluble in water.

反応プロフィール

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].

危険性

Moderate fire risk. Toxic by inhalation, skin and eye irritant, narcotic in high concentration.

火災危険

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.

安全性プロファイル

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.

環境運命予測

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.

輸送方法

UN1110 n-Amyl Methyl ketone, Hazard Class: 3; Labels: 3-Flammable liquid.

廃棄物の処理

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.