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ISOVALERIC ACID | ||
PRODUCT IDENTIFICATION |
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CAS NO. | 503-74-2 |
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EINECS NO. | 207-975-3 | |
FORMULA | (CH3)2CHCH2COOH | |
MOL WT. | 130.18 | |
H.S. CODE |
2915.60.9000 | |
TOXICITY |
Rat LD50 (Oral): 2ml/kg | |
SYNONYMS | Isopropylacetic acid; Delphinic acid; Isopropylacetic acid; | |
3-Methylbutyric acid; 3-Methylbutanoic acid; beta-Methyl butyric acid; Isobutylformic acid; Isopentanoic acid; Iso C-5 Acid; Isovalerianic; 3-Methylbutyrate; Kyselina isovalerova; | ||
SMILES |
C(CC(O)=O)(C)C | |
CLASSIFICATION |
Branched fatty acid, Flavors & Fragrances, Biochemical ex Plants |
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PHYSICAL AND CHEMICAL PROPERTIES |
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PHYSICAL STATE | clear to slightly yellow liquid | |
MELTING POINT |
-29 C | |
BOILING POINT | 176 - 177 C | |
SPECIFIC GRAVITY | 0.92 - 0.93 | |
SOLUBILITY IN WATER |
Soluble (25 g/l), (Soluble in alcohol, chloroform and ether) | |
VAPOR DENSITY |
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pKa | 4.77 (Dissociation Constant at 20 C) | |
log Pow | 1.16 (Octanol-water) | |
VAPOR PRESSURE | 0.44 (mmHg at 25 C) | |
HENRY'S LAW | 8.33E-07 (atm-m3/mole at 25 C) | |
OH RATE | 4.10E-12 (cm3/molecule-sec at 25 C Atmospheric ) | |
AUTOIGNITION | ||
REFRACTIVE INDEX |
1.399 - 1.407 (20 C, 589 nm) | |
NFPA RATINGS | Health ; 1 Flammability ; 3 Reactivity ; 0 | |
FLASH POINT | 74 C | |
STABILITY | Stable under ordinary conditions | |
GENERAL DESCRIPTION & EXTERNAL LINKS |
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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). 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;
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 |
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SALES SPECIFICATION | ||
APPEARANCE |
clear to pale yellow liquid | |
ASSAY | 99.0% min | |
SPECIFIC GRAVITY | 0.921 - 0.93 | |
WATER |
0.2% max | |
TRANSPORTATION | ||
PACKING | ||
HAZARD CLASS | 8 (Packing Group: III) | |
UN NO. | 3265 | |
OTHER INFORMATION | ||
Hazard
Symbols: XN C, Risk Phrases: 34, Safety Phrases: 26-36 FEMA Number: 2462 |
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