ETHYL ISOVALERATE

PRODUCT IDENTIFICATION
CAS NO. 108-64-5; 117442-70-3

ETHYL ISOVALERATE

EINECS NO. 203-602-3
FORMULA (CH3)2CHCH2C(O)OC2H5
MOL WT. 130.19

H.S. CODE

 2915.60.9000

TOXICITY

 Rat LD50 (intraperitoneal):1200mg/kg
SYNONYMS Isovaleric acid, ethyl ester; Ethyl 3-methylbutanoate;
Isovaleric acid ethyl ester; Ethyl 3-methylbutanoate; Ethyl 3-methylbutyrate; Isovalerianato De Etilo; 3-Methylbutanoic acid ethyl ester; Ethyl isopentanoate; 3-Methylbutyric acid ethyl ester;

SMILES

 C(C(OCC)=O)C(C)C

CLASSIFICATION

Flavors & Fragrances, Biochemical ex Plants, Isovalerate

PHYSICAL AND CHEMICAL PROPERTIES
PHYSICAL STATE clear to pale yellow liquid

MELTING POINT

 -99 C
BOILING POINT 131 - 134 C
SPECIFIC GRAVITY 0.865 - 0.875

SOLUBILITY IN WATER

 Insoluble (2000mg/l)

SOLUBILITY

Miscible with alcohol, benzene and ether

pKa (Dissociation Constant at 20 C)
log Pow 2.28 (Octanol-water)
VAPOR PRESSURE 8.3 (mmHg at 25 C)
HENRY'S LAW 7.11E-04 (atm-m3/mole at 25 C)
OH RATE 4.74E-12 (cm3/molecule-sec at 25 C Atmospheric )
AUTOIGNITION  

REFRACTIVE INDEX

 1.393 - 1.399
NFPA RATINGS Health: 1; Flammability: 2; Reactivity: 0
FLASH POINT 26 C
STABILITY Stable under ordinary conditions

GENERAL DESCRIPTION & EXTERNAL LINKS

Valeric acid ( pentanoic acid or propylacetic acid in systemic naming) is a member of short chain straight fatty acids. It is a colorless liquid with a penetrating aroma; slightly soluble in water, soluble in alcohol, and ether. It melts at -34 C and boils at 186 C . ; boils at 185 C . Isovaleric acid (3-methylbutanoic acid ) is a member of branched fatty acids. It is a colorless liquid; slightly soluble in water, soluble in alcohol, and almost organic solvents including ethers. It has a strong pungent sweaty smell. It melts at -29 C and boils at 176 C.   Their primary application is in the synthesis of its esters which are more volatile than their parent compounds. Valeric esters have distinctive fruit-like odors, which has led to the use in fruity flavors, perfume and cosmetics. (e.g: Methyl valerate:flowery, Ethyl valerate: fruity particularly apple, Ethyl isovalerate:apple, Amyl valerate: apple and pineapple). 
Ester smells:http://www.chm.bris.ac.uk/

There are almost infinite esters obtained from thousands of potential starting materials. Esters are formed by removal of water from an acid and an alcohol, e.g., carboxylic acid esters, phosphoric acid esters, and sulfonic acid esters. Carboxylic acid esters are used as in a variety of direct and indirect applications. Lower chain esters are used as flavouring base materials, plasticizers, solvent carriers and coupling agents. Higher chain compounds are used as components in metalworking fluids, surfactants, lubricants, detergents, oiling agents, emulsifiers, wetting agents textile treatments and emollients, They are also used as intermediates for the manufacture of a variety of target compounds. The almost infinite esters provide a wide range of viscosity, specific gravity, vapor pressure, boiling point, and other physical and chemical properties for the proper application selections.

Valeric acid, isovaleric acid their esters are useful raw material for variety of industrial target compounds including;

  • Plasticizers and Lubricants
  • Biodegradable solvents and lubricants
  • Engineering plastics
  • Epoxy curing agents
  • Adhesive and powder coatings
  • Corrosion inhibitors
  • Perfumery and pharmaceuticals
  • Electrolytes
  • Vinyl stabilizers

Esters in lubrication: http://www.forearthonline.com/

Carboxylic Acids: http://www2.chemistry.msu.edu/

Wikipedia Linking:http://en.wikipedia.org/wiki/Valeric_acid, http://en.wikipedia.org/wiki/Isovaleric_acid
SALES SPECIFICATION

APPEARANCE

 clear to pale yellow liquid
ASSAY 98.0% min
SPECIFIC GRAVITY 0.861 - 0.865
ACID VALUE 2.0  max (mg KOH/g)
TRANSPORTATION
PACKING 170kgs in drum
HAZARD CLASS 3 (Packing Group: III)
UN NO. 3272
OTHER INFORMATION
FEMA No. 2463
Hazard Symbols: , Risk Phrases:10 , Safety Phrases: 16