Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Methyl-1-butanol
RN: 137-32-6
UNII: 7VTJ239ASU
InChIKey: QPRQEDXDYOZYLA-UHFFFAOYSA-N

Note

  • Fragrance.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H12-O

Molecular Weight

  • 88.1488
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2-Methyl-1-butanol

Synonyms

  • 1-Butanol, 2-methyl-
  • 2-Methyl butanol-1
  • 2-Methyl-1-butanol
  • 2-Methyl-n-butanol
  • 2-Methylbutanol
  • 2-Methylbutyl alcohol
  • 4-01-00-01666 (Beilstein Handbook Reference)
  • Active amyl alcohol
  • Active primary amyl alcohol
  • AI3-24190
  • BRN 1718810
  • CCRIS 8805
  • dl-sec-Butyl carbinol
  • EC 205-289-9
  • EINECS 205-289-9
  • EINECS 252-163-4
  • HSDB 5626
  • NSC 8431
  • Primary active amyl alcohol
  • sec-Butylcarbinol
  • UNII-7VTJ239ASU

Systematic Names

  • (1)-2-Methylbutan-1-ol
  • 1-Butanol, 2-methyl-
  • 2-Methylbutan-1-ol

Superlist Names

  • 1-Butanol, 2-methyl-
  • 2-Methyl-1-butanol

Registry Numbers

CAS Registry Number

  • 137-32-6

FDA UNII

  • 7VTJ239ASU

Other Registry Number

  • 34713-94-5

System Generated Number

  • 0000137326

Structure Descriptors

InChI

1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3

InChIKey

QPRQEDXDYOZYLA-UHFFFAOYSA-N

Smiles

C([C@@H](CO)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo parenteral 2448mg/kg (2448mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935.
rabbit LD50 skin 3540uL/kg (3.54mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LDLo intraperitoneal 1900mg/kg (1900mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 1, 1945.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 128 deg C   EXP
log P (octanol-water) 1.29 (none)   EXP
Water Solubility 2.97E+04 mg/L 25 EXP
Vapor Pressure 3.12 mm Hg 25 EXP
Henry's Law Constant 1.41E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 8.58E-12 cm3/molecule-sec 25 EST

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