Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2,2-Dibutylacetic acid
RN: 3115-28-4
InChIKey: KQYRYPXQPKPVSP-UHFFFAOYSA-N

Molecular Formula

  • C10-H20-O2

Molecular Weight

  • 172.266
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2,2-Dibutylacetic acid

Synonyms

  • 2,2-Dibutylacetic acid
  • 2-Butyl hexanoate
  • 2-Butylhexanoic acid
  • 4-02-00-01059 (Beilstein Handbook Reference)
  • BRN 1758237
  • Di-n-butylacetic acid
  • Dibutylacetic acid
  • NSC 843

Systematic Name

  • Hexanoic acid, 2-butyl-

Registry Numbers

CAS Registry Number

  • 3115-28-4

Related Registry Number

  • 17022-35-4 (hydrochloride salt)

System Generated Number

  • 0003115284

Structure Descriptors

InChI

1S/C10H20O2/c1-3-5-7-9(10(11)12)8-6-4-2/h9H,3-8H2,1-2H3,(H,11,12)

InChIKey

KQYRYPXQPKPVSP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 340mg/kg (340mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Neuropharmacology. Vol. 24, Pg. 427, 1985.
mouse LD50 intravenous 170mg/kg (170mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Neuropharmacology. Vol. 24, Pg. 427, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.2 (none)   EXP
Water Solubility 276 mg/L 25 EST
Vapor Pressure 4.80E-03 mm Hg 25 EST
Henry's Law Constant 5.28E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-11 cm3/molecule-sec 25 EST

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