Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ethyl butanol
RN: 97-95-0
UNII: 28002VFS3H
InChIKey: TZYRSLHNPKPEFV-UHFFFAOYSA-N

Note

  • Fragrance.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H14-O

Molecular Weight

  • 102.176
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Ethyl butanol

Synonyms

  • 1-Butanol, 2-ethyl-
  • 2-Ethyl-1-butanol
  • 2-Ethylbutanol
  • 2-Ethylbutanol-1
  • 2-Ethylbutyl alcohol
  • 3-Methylolpentane
  • 3-Pentylcarbinol
  • 4-01-00-01725 (Beilstein Handbook Reference)
  • AI3-01329
  • BRN 1731254
  • EINECS 202-621-4
  • Ethylbutanol
  • HSDB 2840
  • NSC 8858
  • Pseudohexyl alcohol
  • sec-Hexyl alcohol
  • sec-Pentylcarbinol
  • UNII-28002VFS3H

Systematic Names

  • 1-Butanol, 2-ethyl-
  • 2-Ethylbutan-1-ol

Superlist Names

  • 1-Butanol, 2-ethyl-
  • 2-Ethylbutanol [UN2275] [Flammable liquid]
  • Ethyl butanol
  • UN2275

Registry Numbers

CAS Registry Number

  • 97-95-0

FDA UNII

  • 28002VFS3H

System Generated Number

  • 0000097950

Structure Descriptors

InChI

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

InChIKey

TZYRSLHNPKPEFV-UHFFFAOYSA-N

Smiles

C(CC)(CC)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 450mg/kg (450mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4612, 1982.
mouse LD intraperitoneal > 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 453, 1975.
rabbit LD50 oral 1200mg/kg (1200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 377, 1944.
rabbit LD50 skin 1260uL/kg (1.26mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 intraperitoneal 800mg/kg (800mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4612, 1982.
rat LD50 oral 1850mg/kg (1850mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.50E+01 deg C   EXP
Boiling Point 147 deg C   EXP
log P (octanol-water) 1.750 (none)   EST
Water Solubility 4000 mg/L 25 EXP
Vapor Pressure 1.53 mm Hg 25 EXP
Henry's Law Constant 5.14E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.04E-11 cm3/molecule-sec 25 EST

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