Isobutyric Acid - Materials / Alfa Chemistry

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Isobutyric Acid

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Catalog Number

ACMA00016992

Product Name

Isobutyric Acid

Category

Polymers

Description

Isobutyric acid appears as a colorless liquid with a light odor of rancid butter. Corrosive to metals and tissue.;Liquid;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;colourless liquid with a strong penetrating odour of rancid butter

IUPAC Name

2-methylpropanoic acid

Molecular Weight

88.11g/mol

Molecular Formula

C4H8O2;(CH3)2CHCOOH;C4H8O2

Canonical SMILES

CC(C)C(=O)O

InChI

InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

InChI Key

KQNPFQTWMSNSAP-UHFFFAOYSA-N

Boiling Point

309 °F at 760 mm Hg (USCG, 1999);154.4 °C;152-155 °C at 760 mm Hg;152-155 °C

Melting Point

-51 °F (USCG, 1999);-46.0 °C;Fp -47 °;-47 °C;-46°C;-47 °C

Flash Point

132 °F (NFPA, 2010);170 °F OPEN CUP;132 °F (56 °C) (closed cup);56 °C c.c.

Density

0.949 at 68 °F (USCG, 1999);d154 0.95;0.950 at 20 °C/4 °C;Relative density (water = 1): 0.95;0.944-0.948

Solubility

1.90 M;167 mg/mL at 20 °C;Slightly soluble in carbon tetrachloride;Sol in 6 parts of water; miscible with alcohol, chloroform, and ether.;In water, 1.67X10+5 mg/L at 20 °C;167 mg/mL at 20 °C;Solubility in water, g/100ml at 20 °C: 20;miscible with alcohol, most fixed oils, glycerine and propylene glycol; insoluble in water

Color/Form

Colorless liquid

Complexity

56.6

Corrosivity

/2-Methylpropanoic acid/ is corrosive to metals.

Covalently-Bonded Unit Count

EC Number

201-195-7

Exact Mass

88.052429g/mol

Formal Charge

Heat of Vaporization

11,182.8 g cal/g mole

Heavy Atom Count

ICSC Number

0903

Log P

0.94 (LogP);0.94;log Kow = 0.94;0.94;0.88

MeSH Entry Terms

2-methpropanoic acid;ammonium isobutyrate;isobutyric acid;isobutyric acid, ammonium salt;isobutyric acid, calcium salt;isobutyric acid, hemiammoniate;isobutyric acid, nickel salt;isobutyric acid, potassium salt;isobutyric acid, sodium salt;isobutyric acid, sodium salt, 11C-labeled;isobutyric acid, sodium salt, 14C-labeled;sodium isobutyrate

Monoisotopic Mass

88.052429g/mol

NSC Number

62780

Odor

Pungent odor like that of butyric acid, but not as unpleasant;SHARP, BUTTER-FAT-LIKE ODOR

Other Experimental

Henry's Law constant = 8.85X10-7 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 2.00X10-12 cu cm/molec-sec at 25 °C

Refractive Index

n20D 1.3930;Index of refraction: 1.3930 at 20 °C/D;1.392-1.395

Rotatable Bond Count

RTECS Number