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110-43-0

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Identification

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

Appearance
colourless liquid
Appearance
Methyl amyl ketone is a clear colorless liquid with a mild, banana-like odor.
mp 
-35 °C
Melting point 
-35 °C (lit.)
bp 
149 °C
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
Stability:
Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases.
explosive limit
1.11-7.9%(V)
Odor Threshold
0.0068ppm
Water Solubility 
4.3 g/L (20 ºC)
Detection Methods
GC,NMR
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). .
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

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 .
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
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

Raw materials And Preparation Products

Hazard Information

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.
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.
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
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.
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.
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.

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