Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Methylpropanoic acid
RN: 79-31-2
UNII: 8LL210O1U0
InChIKey: KQNPFQTWMSNSAP-UHFFFAOYSA-N

Molecular Formula

  • C4-H8-O2

Molecular Weight

  • 88.1052
 

Classification Codes

Classification Codes

  • Fungicide
  • Skin / Eye Irritant
  • TSCA Flag T (Subject to the Section 4 Test Rule under TSCA)

Superlist Classification Code

  • Reportable Quantity (RQ) = 5000 lb
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2-Methylpropanoic acid
  • Isobutyric acid
  • Propanoic acid, 2-methyl-

Synonyms

  • 2-Methylpropanoic acid
  • 2-Methylpropionic acid
  • 4-02-00-00843 (Beilstein Handbook Reference)
  • Acetic acid, dimethyl-
  • AI3-24260
  • alpha-Methylpropanoic acid
  • alpha-Methylpropionic acid
  • BRN 0635770
  • Caswell No. 503AA
  • Cenex RP b2
  • Dimethylacetic acid
  • EC 201-195-7
  • EINECS 201-195-7
  • EPA Pesticide Chemical Code 101502
  • FEMA No. 2222
  • HSDB 5228
  • Isobutanoic acid
  • Isobutyric acid
  • Isobutyric acid (natural)
  • Isopropylformic acid
  • Kyselina isomaselna
  • Kyselina isomaselna [Czech]
  • NSC 62780
  • Propanoic acid, 2-methyl-
  • Propionic acid, 2-methyl-
  • Tenox IBP-2
  • Tenox IBP-2 Grain Pr.
  • UNII-8LL210O1U0

Systematic Names

  • 2-Methylpropanoic acid
  • Isobutyric acid
  • Propanoic acid, 2-methyl-

Superlist Names

  • Iso-butyric acid
  • Isobutyric acid
  • Isobutyric acid [UN2529] [Flammable liquid]
  • Methylpropanoic acid, 2-
  • Propanoic acid, 2-methyl-
  • UN2529

Registry Numbers

CAS Registry Number

  • 79-31-2

FDA UNII

  • 8LL210O1U0

Related Registry Numbers

  • 19455-20-0 (potassium salt)
  • 22228-82-6 (ammonium salt)
  • 533-90-4 (calcium salt)
  • 996-30-5 (hydrochloride salt)

System Generated Number

  • 0000079312

Structure Descriptors

InChI

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

InChIKey

KQNPFQTWMSNSAP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 500uL/kg (0.5mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 280uL/kg (0.28mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.60E+01 deg C   EXP
Boiling Point 154.4 deg C   EXP
pKa Dissociation Constant 4.84 (none) 20 EXP
log P (octanol-water) 0.94 (none)   EXP
Water Solubility 1.67E+05 mg/L 20 EXP
Vapor Pressure 1.81 mm Hg 25 EXP
Henry's Law Constant 8.85E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.00E-12 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.