2-Heptanone

Product Name:

2-Heptanone

Synonyms:

2-Oxoheptane 1-Methylhexanal;2-Heptanone,98%;2-Heptanone,Methyl pentyl ketone;2-Heptanone, pure, 98%;2-Heptanone, 98%, pure;2-Heptanone, 98% 100ML;2-Heptanone, 98% 1LT;amyl-methyl-cetone(french)

CAS:

110-43-0

MF:

C7H14O

MW:

114.19

EINECS:

203-767-1

Product Categories:

H;NMR Reference Standards;NMRStable Isotopes;Spectroscopy;Stable Isotopes;Carbon Steel Flex-Spout Cans;ACS and Reagent Grade Solvents;Amber Glass Bottles;Nutrition Research;Phytochemicals by Plant (Food/Spice/Herb);ReagentPlus;ReagentPlus Solvent Grade Products;Semi-Bulk Solvents;Solvent Bottles;Solvent by Application;Solvent Packaging Options;Solvents;Industrial/Fine Chemicals;G-HAlphabetic;HA -HTAnalytical Standards;Alphabetical Listings;Zingiber officinale (Ginger)

Mol File:

110-43-0.mol

Melting point 

-35 °C

Boiling point 

149 °C

density 

0.82

vapor density 

3.94 (vs air)

vapor pressure 

2.14 mm Hg ( 20 °C)

FEMA 

2544 | 2-HEPTANONE

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

explosive limit

1.11-7.9%(V)

Odor Threshold

0.0068ppm

Water Solubility 

4.3 g/L (20 ºC)

JECFA Number

283

Merck 

14,4663

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.

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

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).

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.

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 irrita[1]tion 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 tempera[1]ture 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.

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.

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.

Raw materials

Ethyl acetoacetate-->Calcium chloride solution 36-40%, (1box=27kgs)-->Clove oil-->2-Heptanol

Preparation Products

(R)-(-)-2-AMINOHEPTANE-->2-Heptanol-->oct-2-enal