2-HEPTANONE

PRODUCT IDENTIFICATION

CAS NO. 110-43-0

METHYL AMYL KETONE

EINECS NO. 203-767-1
FORMULA C5H11COCH3
MOL WT. 114.19
H.S. CODE 2914.19.0000

UN NO.

1110

TOXICITY

Oral Rat LD50: 1670mg/kg
SYNONYMS MAK; Methyl n-amyl ketone; Methyl pentyl ketone; Methyl amyl ketone;
2-Heptanone; Butyl Acetone; Heptan-2-one; Ketone C-7; Amyl methyl ketone; Heptan-2-ona; Heptane-2-on; n-Amyl methyl ketone; Amyl-methyl-cetone (French); Butylacetone; Pentyl methyl ketone; n-Amyl methyl ketone; n-Pentyl methyl ketone;

SMILES

C(CCCC)C(C)=O

CLASSIFICATION

Solvent, Ketone, Flavors and Fragrances

EXTRA NOTES

FEMA Number: 2544

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE clear liquid
MELTING POINT -31 C
BOILING POINT 151 - 152 C
SPECIFIC GRAVITY 0.815
SOLUBILITY IN WATER Slightly soluble (0.43 g/100 ml)
SOLVENT SOLUBILITY Soluble in alcohol, propylene glycol, ether
pH

 

VAPOR DENSITY 3.94
log Pow 1.98 (Octanol-water)
VAPOR PRESSURE 3.88 (mmHg)
HENRY LAW CONSTANT 1.69E-04 (atm-m3/mole at 25 C)
OH RATE CONSTANT 1.17E-11 (cm3/molecule-sec at 25 C Atmospheric)
AUTOIGNITION

 

NFPA RATINGS Health: 1 Flammability: 2 Reactivity: 0

REFRACTIVE INDEX

1.4087
FLASH POINT

47 C

STABILITY Stable under ordinary conditions,

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking

Material Safety Data Sheet

Google Scholar Search

http://toxnet.nlm.nih.gov/
Major Uses:
Industrial solvent; solvent for synthetic resin finishes; fragrance ingredient in creams, lotions, perfumes, soaps & detergents; flavor ingredient in foods; inert reaction medium
Solvent for nitrocellulose lacquers.
Blue cheese flavor
In perfumery as constituent of artificial carnation oils; as industrial solvent
Methyl n-amyl ketone is used as a solvent in metal roll coatings and in synthetic resin finishes and lacquers, as a flavoring agent, and in perfumes.

Local: Ketone is a class of chemical compounds contain the carbonyl group in which the carbon atom is covalently bonded to an oxygen atom.

Carbonyl groups are: 

  • Aldehydes (X and Y = H; X = H, Y = alkyl or aryl)
  • Ketones (X and Y = alkyl or aryl)
  • Carboxylic acids (X = OH, Y = H, alkyl, or aryl)
  • Esters (X = O-alkyl or aryl; Y = H, alkyl, or aryl)
  • Amides (X = NH, N-alkyl, or N-aryl; Y = H, alkyl, or aryl)
  • Acid halides
  • Acid anhydrides
  • Lactones
  • Lactams

Ketone has the general formula RCOR' where the groups R and R' may be the same or different, or incorporated into a ring (R and R' are alkyl, aryl, or heterocyclic radicals). The simplest example, R and R´ are methyl group, is acetone (also called 2-propanone, CH3COCH3) which is one of the most important ketones used in industry (low molecular weight ketones are general purpose solvents.) In the IUPAC system, the suffix -one is used to describe ketone with the numbering of the carbon atom at the end that gives the lower number. For example, CH3CH2COCH2CH2CH3 is named 3-hexanone because the whole chain contains six carbon atoms and the oxygen is connected to the third carbon from the lower number. There are aromatic ketones of which acetophenone and bezophenone are examples. Ketones can be made by the oxidation of secondary alcohols and the destructive distillation of certain salts of organic acids. In addition to as polar solvents, ketones are important intermediates in the syntheses of organic compounds such as alkoxides, hydroxyalkynes, imines, alcohols (primary, secondary as well as tertiary), acetals, thioacetals, phosphine oxides, geminal diols, hydrazones, organic sulfite and cyanohydrins.  2-Hexanone is used as a solvent and an intermediate in the synthesis of pharmaceuticals and pesticides.

SALES SPECIFICATION

APPEARANCE

clear liquid

ASSAY

99.0% min

BOILING POINT

151 - 152 C

TRANSPORTATION
PACKING 160kgs in drum
HAZARD CLASS 3 (Packing Group: III)
UN NO. 1110
SAFETY INFORMATION
Hazard Symbols: XN, Risk Phrases: 10-20/22, Safety Phrases: 24/25

GENERAL DESCRIPTION OF SOLVENT
Solvent is a substance, usually a liquid, that acts as a dissolving agent or that is capable of dissolving another substance. In solutions of solids or gases in a liquid, the liquid is the solvent. In all other homogeneous mixtures (i.e., liquids, solids, or gases dissolved in liquids; solids in solids; and gases in gases), solvent is the component of the greatest amount. The minor proportion substances are called solutes. The solvent offers several functions during a chemical reaction. It solves not only the substance that reacts with another one to produce a new set of substances (reactant) but also the compound that supplies the molecule, ion, or free radical, which is considered as the attacking species in a chemical reaction (reagent). The solvent is conductive to collisions between the reactants and reagents to transform the reactants to new products. The solvent also takes roll of temperature control, either to provide the energy of the colliding particles for speedy reaction and to absorb heat in exothermic reaction. The appropriate solvent should be selected based on the inactivity in the reaction conditions, dissolving the reagents as well as reactants, appropriate boiling point and easy removal at the end of the reaction.

Polarity

The most common solvent is water. Other common solvents which dissolve substances that are insoluble (or nearly insoluble) in water are acetone, alcohol, formic acid, acetic acid, formamide. BTX, carbon disulfide, diemthyl sulfoxide, carbon tetrachloride, chloroform, ether, tetrahydrofuran, furfural, hexane and turpentine. They may be classified as polar and non-polar. Polar solvents, like water, have molecules whose electric charges are unequally distributed, leaving one end of each molecule more positive than the other. Usually polar solvent has O-H bond of which water (HOH), (CH3OH) and acetic acid (CH3COOH) are examples. Propanol, butanol, formic acid, formamide are polar solvents. Dipolar solvents which contain a C-O solid bond without O-H bond are acetone [(CH3)2C=O], ethyl acetate (CH3COOCH2CH3), methyl ethyl ketone, acetonitrile, N,N-dimethylformamide and diemthyl sulfoxide. Nonpolar solvents, like carbon tetrachloride (CCl4), benzene (C6H6), and diethyl ether ( CH3CH2OCH2CH3), have molecules whose electric charges are equally distributed and are not miscible with water. Hexane, tetrahydrofuran and methylene chloride are non-polar solvents. Polar solvents are hydrophilic but non-polar solvents are lipophilic. Polar reactants will dissolve in polar solvents. Non-polar solvents dissolve non-polar compounds best. Oil and water don't mix but separate into two layers. There are three measures of the polarity as "dipole moment", "dielectric constant" and "miscibility with water". Though low dipole moments and small dielectric constants indicates non-polar solvents, sharp boundaries between polar and non-polar solvents are not available. The polarity reflects the balance between a polar component (OH) and a non-polar hydrocarbon component, existing in the same molecule. If hydrocarbon character increases relatively, the polarity decreases. On an operational basis, solvents that are miscible with water are polar.

Polar Protic and Dipolar Aprotic

Protic refers to a hydrogen atom attached to an electronegative atom. Protic solvents can donate an H+ (proton) since they contain dissociable H+, such as hydrogen attached to oxygen as in a hydroxyl group, nitrogen as in a amine group. Examples are water, methanol, ethanol, formic acid, hydrogen fluoride and ammonia. Aprotic solvents don't has O-H bond but a C=O bond typically. Examples are acetone [(CH3)2C=O] and ethyl acetate (CH3COOCH2CH3). Polar protic solvents are useful in SN1 reaction, while polar aprotic solvents are SN2 reaction.

Solvents
Boiling point C
Dipole Moment
Dielectric Constant

Density (g/ml)

Polar Protic

Water
100
1.85
80

0.998

Methanol
68
1.70
33

0.791

Ethanol
78
1.69
24.3

0.789

n-Propanol
97
1.68
20.1

0.803

n-Butanol
118
1.66
17.8

0.810

Formic acid
100
1.41
58

1.21

Acetic acid
118
1.74
6.15

1.049

Formamide
210
3.73
109
1.134

Polar Aprotic

Acetone
56
2.88
20.7

0.786

Tetrahydrofuran
66
1.63
7.52

0.886

Methyl ethyl ketone
80
2.78
18.5

0.805

Ethyl acetate
78
1.78
6.02

0.894

Acetonitrile
81
3.92
36.6

0.786

N,N-Dimethylformamide
153
3.82
38.3

0.944

Diemthyl sulfoxide
189
3.96
47.2

1.092

Non-Polar

Hexane
69
-
2.02

0.655

Benzene
80
0
2.28

0.879

Diethyl ether
35
1.15
4.34

0.713

Methylene chloride
40
1.60
9.08

1.326

Carbon tetrachloride
76
0
2.24
1.594



PRICE INFORMATION