3-METHYL-2-PENTANONE

PRODUCT IDENTIFICATION
CAS NO. 565-61-7

3-METHYL-2-PENTANONE

EINECS NO. 209-282-1
FORMULA CH3CH2CH(CH3)COCH3
MOL WT. 100.16
H.S. CODE 2914.19.0000

UN NO.

 1224
TOXICITY

 

SYNONYMS 3-Methylpentan-2-one; Methyl 1-methylpropyl ketone;
Methyl sec-butyl ketone; sec-Butyl methyl ketone; 3-Methylpentan-2-one;
SMILES C([C@@H](CC)C)(C)=O

CLASSIFICATION

Ketone, Flavoring agent

EXTRA NOTES

 Highly flammable liquid and vapor

PHYSICAL AND CHEMICAL PROPERTIES
PHYSICAL STATE colorless to pale yellow liquid
MELTING POINT  
BOILING POINT 118 C
DENSITY

0.185

SOLUBILITY IN WATER 2.09E+04 mg/l at 25 C
SOLVENT SOLUBILITY Soluble in Alcohol. Miscible with most common organic solvents
pH  
VAPOR DENSITY  
log P(o/w) 0.84 (Octanol-water)
VAPOR PRESSURE 11.5 (mmHg at 25 C)
HENRY LAW CONSTANT 7.32E-05 (atm-m3/mole at 25 C)
OH RATE CONSTANT 6.23E-12 (cm3/molecule-sec at 25 C Atmospheric )

AUTOIGNITION

 

NFPA RATINGS

 Health: 0 Flammability: 3 Reactivity: 0

REFRACTIVE INDEX

 1.4002
FLASH POINT

12 C

STABILITY Stable under ordinary conditions.

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking (Ketone)

Material Safety Data Sheet

Google Scholar Search

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

CARBONYL GROUP

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.  Methyl Isopropyl Ketone is used as a solvent and an intermediate in the synthesis of pharmaceuticals and pesticides.

SALES SPECIFICATION

APPEARANCE

 clear to colorless liquid
ASSAY

95.0% min

SPECIFIC GRAVITY

0.81 - 0.816

BOILING POINT

116 - 118 C

TRANSPORTATION
PACKING  
HAZARD CLASS 3 (Packing group: III)
UN NO. 1224
SAFETY INFORMATION
Hazard Symbols: F, Risk Phrases: 11, Safety Phrases: 9-29-33
PRICE INFORMATION