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Substance Name: 2-Ethyl-4-methylpentanol
RN: 106-67-2
UNII: 80V2E9GXUZ
InChIKey: QCHSJPKDWOFACC-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C8-H18-O

Molecular Weight

  • 130.229
 
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Names and Synonyms

Name of Substance

  • 2-Ethyl-4-methylpentanol

Synonyms

  • 2-Ethyl-4-methyl-1-pentanol
  • 2-Ethyl-4-methylpentanol
  • 2-Ethylisohexanol
  • 4-01-00-01792 (Beilstein Handbook Reference)
  • BRN 1697441
  • EINECS 203-422-5
  • UNII-80V2E9GXUZ

Systematic Names

  • 1-Pentanol, 2-ethyl-4-methyl-
  • 2-Ethyl-4-methylpentan-1-ol

Registry Numbers

CAS Registry Number

  • 106-67-2

FDA UNII

  • 80V2E9GXUZ

Other Registry Numbers

  • 10137-88-9
  • 111767-90-9

System Generated Number

  • 0000106672

Structure Descriptors

InChI

1S/C8H18O/c1-4-8(6-9)5-7(2)3/h7-9H,4-6H2,1-3H3

InChIKey

QCHSJPKDWOFACC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
rabbit LD50 skin > 5gm/kg (5000mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 697, 1969.
rat LC inhalation > 675ppm/6H (675ppm)   Kodak Company Reports. Vol. 21May1971,
rat LD50 oral 4290uL/kg (4.29mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.660 (none)   EST
Water Solubility 1590 mg/L 25 EST
Henry's Law Constant 3.10E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.32E-11 cm3/molecule-sec 25 EST

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