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Substance Name: 2-Methyl-1-pentanol
RN: 105-30-6
UNII: U8933MB30H
InChIKey: PFNHSEQQEPMLNI-UHFFFAOYSA-N

Classification Codes

  • Human Data
  • Skin / Eye Irritant

Molecular Formula

  • C6-H14-O

Molecular Weight

  • 102.176
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-1-pentanol

Synonyms

  • (+-)-2-Methyl-1-pentanol
  • (+-)-2-Methylpentanol
  • 2-Methyl-1-pentanol
  • 2-Methylpentanol-1
  • 2-MPOH
  • 3-01-00-01665 (Beilstein Handbook Reference)
  • AI3-21997
  • BRN 1718974
  • EINECS 203-285-1
  • HSDB 2890
  • Isohexyl alcohol
  • NSC 6250
  • sec-Amyl carbinol
  • UNII-U8933MB30H

Systematic Names

  • 1-Pentanol, 2-methyl-
  • 2-Methylpentan-1-ol

Superlist Names

  • 1-Pentanol, 2-methyl-
  • 2-Methyl-1-pentanol

Registry Numbers

CAS Registry Number

  • 105-30-6

FDA UNII

  • U8933MB30H

Other Registry Number

  • 17092-54-5

System Generated Number

  • 0000105306

Structure Descriptors

InChI

1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3

InChIKey

PFNHSEQQEPMLNI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TCLo inhalation 50ppm (50ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946.
mouse LD50 oral > 3200mg/kg (3200mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
rabbit LD50 skin 3560uL/kg (3.56mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LC inhalation > 5000ppm/6H (5000ppm)   Kodak Company Reports. Vol. 21MAY1971,
rat LD50 oral 1410mg/kg (1410mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 149 deg C   EXP
log P (octanol-water) 1.750 (none)   EST
Water Solubility 6000 mg/L 25 EXP
Vapor Pressure 1.92 mm Hg 25 EXP
Henry's Law Constant 4.30E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.99E-12 cm3/molecule-sec 25 EST

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