ISOBUTYL ISOBUTYRATE

PRODUCT IDENTIFICATION

CAS NO. 97-85-8

ISOBUTYL ISOBUTYRATE

EINECS NO. 202-612-5
FORMULA (CH3)2CHCOOCH2CH(CH3)2
MOL WT. 144.21
H.S. CODE 2915.60.5000
TOXICITY Oral Rat LD50: 12800mg/kg
SYNONYMS

2-Methylpropyl isobutyrate; Isobutyl isobutyrate; IBIB;

2-Methyl-1-propyl 2-methylpropanoate; 2-Methylpropyl 2-methylpropanoate; 2-Methylpropyl 2-methylpropionate; 2-Methylpropyl isobutyrate; Isobutyl 2-methylpropanoate; Isobutyl isobutanoate; Isobutylester kyseliny isomaselne; Isobutyric acid isobutyl ester; 2-mMthylpropanoic acid 2-methylpropyl ester;

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

CLASSIFICATION

 

EXTRA NOTES

FEMA No. 2189
UN2528 [Flammable liquid]

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE

clear liquid

MELTING POINT -81 C
BOILING POINT 148 C
SPECIFIC GRAVITY

0.856

SOLUBILITY IN WATER 1000 mg/l at 20 C
log P

2.68

pH  
VAPOR PRESSURE 4.33

REFRACTIVE INDEX

1.375 - 1.415
NFPA RATINGS

Health: 2; Flammability: 2; Instability: 0

FLASH POINT

40 C

STABILITY Stable under ordinary conditions.

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking - Ester

Google Scholar Search

Drug Information Portal (U.S. National Library of Medicine) - Isobutyl isobutyrate

PubChem Compound Summary - Isobutyl isobutyrate

KEGG (Kyoto Encyclopedia of Genes and Genomes) -  Isobutyl isobutyrate

http://www.ebi.ac.uk/chebi/ -  Isobutyl isobutyrate

http://www.ncbi.nlm.nih.gov/ -  Isobutyl isobutyrate

Human Metabolome Database - Isobutyl isobutyrate

http://www.thegoodscentscompany.com/

Local:
Carboxylic acid is an organic compound whose molecules contain carboxyl group and have the condensed chemical formula R-C(=O)-OH in which a carbon atom is bonded to an oxygen atom by a solid bond and to a hydroxyl group by a single bond), where R is a hydrogen atom, an alkyl group, or an aryl group. Carboxylic acids can be synthesized if aldehyde is oxidized. Aldehyde can be obtained by oxidation of primary alcohol. Accordingly, carboxylic acid can be obtained by complete oxidation of primary alcohol. A variety of Carboxylic acids are abundant in nature and many carboxylic acids have their own trivial names. Examples are shown in table. In substitutive nomenclature, their names are formed by adding -oic acid' as the suffix to the name of the parent compound. The first character of carboxylic acid is acidity due to dissociation into H+ cations and RCOO- anions in aqueous solution. The two oxygen atoms are electronegatively charged and the hydrogen of a carboxyl group can be easily removed. The presence of electronegative groups next to the carboxylic group increases the acidity. For example, trichloroacetic acid is a stronger acid than acetic acid. Carboxylic acid is useful as a parent material to prepare many chemical derivatives due to the weak acidity of the hydroxyl hydrogen or due to the difference in electronegativity between carbon and oxygen. The easy dissociation of the hydroxyl oxygen-hydrogen provide reactions to form an ester with an alcohol and to form a water-soluble salt with an alkali. Almost infinite esters are formed through condensation reaction called esterification between carboxylic acid and alcohol, which produces water. The second reaction theory is the addition of electrons to the electron-deficient carbon atom of the carboxyl group. One more theory is decarboxylation (removal of carbon dioxide form carboxyl group). Carboxylic acids are used to synthesize acyl halides and acid anhydrides which are generally not target compounds. They are used as intermediates for the synthesis esters and amides, important derivatives from carboxylic acid in biochemistry as well as in industrial fields. There are almost infinite esters obtained from carboxylic acids. Esters are formed by removal of water from an acid and an alcohol. 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. Amides are formed from the reaction of a carboxylic acids with an amine. Carboxylic acid's reaction to link amino acids is wide in nature to form proteins (amide), the principal constituents of the protoplasm of all cells. Polyamide is a polymer containing repeated amide groups such as various kinds of nylon and polyacrylamides. Carboxylic acid are in our lives.

ALIPHATIC CARBOXYLIC ACIDS

COMMON NAME

SYSTEMATIC NAME

CAS RN

FORMULA

MELTING POINT

Formic Acid

Methanoic acid 64-18-6

HCOOH

8.5 C
Acetic Acid Ethanoic acid 64-19-7 CH3COOH

16.5 C

Carboxyethane Propionic Acid 79-09-4 CH3CH2COOH

-21.5 C

Butyric Acid n-Butanoic acid 107-92-6 CH3(CH2)2COOH

-8 C

Valeric Acid n-Pentanoic Acid 109-52-4 CH3(CH2)3COOH

-19 C

Caproic Acid n-Hexanoic Acid 142-62-1 CH3(CH2)4COOH

-3 C

Enanthoic Acid n-Heptanoic acid 111-14-8 CH3(CH2)5COOH

-10.5 C

Caprylic Acid n-Octanoic Acid 124-07-2 CH3(CH2)6COOH

16 C

alpha-Ethylcaproic Acid 2-Ethylhexanoic Acid 149-57-5 CH3(CH2)3CH(C2H5)COOH

-59 C

Valproic Acid 2-Propylpentanoic Acid 99-66-1 (CH3CH2CH2)2CHCOOH

120 C

Pelargonic Acid n-Nonanoic Acid 112-05-0 CH3(CH2)7COOH

48 C

Capric Acid n-Decanoic Acid 334-48-5 CH3(CH2)8COOH

31 C

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.

SALES SPECIFICATION

APPEARANCE

clear liquid

PURITY

98.0% min

ACIDITY

1.0 max

REFRACTIVE INDEX

1.375 - 1.415

SPECIFIC GRAVITY

0.845 - 0.865

TRANSPORTATION
PACKING  
HAZARD CLASS 3 (Packing Group: III)
UN NO. 2528
SAFETY INFORMATION

HAZARD OVERVIEW

Flammable liquid and vapor. Causes eye, skin, and respiratory tract irritation. Target Organs: Central nervous system, respiratory system, eyes, skin. OSHA Hazards:Combustible Liquid, Irritant

GHS

 

SIGNAL WORD Warning

PICTOGRAMS

HAZARD STATEMENTS

H226 H315 H319 H335

P STATEMENTS

P210 P261 P280 P302+P352+P338

EC DIRECTIVES

 

HAZARD CODES

Xi Irritant

RISK PHRASES

10-36/37/38

SAFETY PHRASES

16-26-36

PRICE INFORMATION