| Identification | More | [Name]
2-Heptanone | [CAS]
110-43-0 | [Synonyms]
3-HEPTANONE
BUTYL ETHYL KETONE
ETHYL BUTYL KETONE
ETHYL N-BUTYL KETONE
FEMA 2545
HEPTAN-3-ONE
HEPTANONE, 3-
N-BUTYL ETHYL KETONE
1-Methylhexanal
2-Heptanal
2-Heptanon
2-Ketoheptane
2-Oxoheptane
Amyl-methyl-cetone
amyl-methyl-cetone(french)
Amyl-methylketon
Butylacetone
femanumber2544
heptan-2-
Heptan-2-on | [EINECS(EC#)]
203-388-1 | [Molecular Formula]
C7H14O | [MDL Number]
MFCD00009483 | [Molecular Weight]
114.19 | [MOL File]
110-43-0.mol |
| Chemical Properties | Back Directory | [Appearance]
Methyl amyl ketone is a clear colorless liquid
with a mild, banana-like odor. | [Melting point ]
-35 °C (lit.) | [Boiling point ]
149-150 °C (lit.) | [density ]
0.82 | [vapor density ]
3.94 (vs air)
| [vapor pressure ]
2.14 mm Hg ( 20 °C)
| [FEMA ]
2544 | [refractive index ]
n20/D 1.408(lit.)
| [Fp ]
106 °F
| [storage temp. ]
Flammables area | [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 | [Stability:]
Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases. | [biological source]
synthetic | [explosive limit]
1.11-7.9%(V) | [Odor Threshold]
0.0068ppm | [Odor Type]
cheesy | [Water Solubility ]
4.3 g/L (20 ºC) | [Specific Heat Capacity]
Cp(liquid):232.6J/(g·K),at 25℃ | [Detection Methods]
GC,NMR | [JECFA Number]
283 | [Merck ]
14,4663 | [BRN ]
1699063 | [Henry's Law Constant]
3.59 at 37 °C (static headspace-GC, Bylaite et al., 2004) | [Dielectric constant]
12.9（22℃） | [Exposure limits]
TLV-TWA 235 mg/m3 (50 ppm) (ACGIH),
465 mg/m3 (100 ppm) (NIOSH).
. | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 | [InChIKey]
CATSNJVOTSVZJV-UHFFFAOYSA-N | [SMILES]
CCCCCC(C)=O | [LogP]
2.26 at 30℃ | [Uses]
Solvent for nitrocellulose lacquers, synthetic
flavoring, perfumery. | [CAS DataBase Reference]
110-43-0(CAS DataBase Reference) | [NIST Chemistry Reference]
2-Heptanone(110-43-0) | [EPA Substance Registry System]
110-43-0(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Warning | [Hazard statements ]
H226-H302+H332 | [Precautionary statements ]
P210-P301+P312+P330-P304+P340+P312 | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
R38:Irritating to the skin.
R40:Limited evidence of a carcinogenic effect.
R48/20/22:Harmful: danger of serious damage to health by prolonged exposure through inhalation and if swallowed .
R20/22:Harmful by inhalation and if swallowed .
R10:Flammable. | [Safety Statements ]
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes . | [OEB]
A | [OEL]
TWA: 100 ppm (465 mg/m3) | [RIDADR ]
UN 2810 6.1/PG 3
| [WGK Germany ]
2
| [RTECS ]
MJ5250000
| [Autoignition Temperature]
739 °F | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29141990 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Flam. Liq. 3
STOT SE 3 | [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. | [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 | [IDLH]
800 ppm |
| Hazard Information | Back Directory | [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. | [Reactivity Profile]
AMYL METHYL KETONE(110-43-0) 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]. | [Air & Water Reactions]
Flammable. Slightly soluble in water. | [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. | [First aid]
If this chemical gets into the eyes, remove any
contact lenses at once and irrigate immediately for at least
15 minutes, occasionally lifting upper and lower lids. Seek
medical attention immediately. If this chemical contacts the
skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately.
If this chemical has been inhaled, remove from exposure,
begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if
heart action has stopped. Transfer promptly to a medical
facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce
vomiting. Do not make an unconscious person vomit.
| [Shipping]
UN1110 n-Amyl Methyl ketone, Hazard Class: 3;
Labels: 3-Flammable liquid. | [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. | [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. | [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 | [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 | [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 | [Potential Exposure]
Primary Irritant. Methyl amyl ketone is used as a solvent in metal roll coatings and in synthetic resin finishes; as a solvent for nitrocellulose in lacquers and as a relatively inert reaction medium. | [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. | [storage]
Color Code—Red: Flammability Hazard: Store in a flammable liquid storage area or approved cabinet away from ignition sources and corrosive and reactive materials. Prior to working with this chemical you should be trained on its proper handling and storage. Before entering confined space where this chemical may be present, check to make sure that an explosive concentration does not exist. Methyl (n-amyl) ketone must be stored to avoid contact with oxidizers, such as perchlorates, peroxides, chlorates, nitrites, and permanganates, since violent reaction occur. Store in tightly closed containers in a cool, well-ventilated area away from heat or flame. Sources of ignition, such as smoking and open flames, are prohibited where methyl (n-amyl) ketone is used, handled, or stored in a manner that could create a potential fire or explosion hazard. | [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. | [Incompatibilities]
Forms explosive mixture with air. Strong acids, alkalis, oxidizers. Attacks some forms of plastics. | [Toxics Screening Level]
The ITSL for Methyl Amyl Ketone is 2330 μg/m3 with an 8 hour averaging time. |
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