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Substance Name: 2-Ethyl-1-hexanol
RN: 104-76-7
UNII: XZV7TAA77P
InChIKey: YIWUKEYIRIRTPP-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
  • TSCA Flag TP (Subject to the Proposed TSCA Section 4 Test Rule)

Molecular Formula

  • C8-H18-O

Molecular Weight

  • 130.2292
 

Names and Synonyms

Name of Substance

  • 2-Ethyl-1-hexanol
  • 2-Ethylhexanol

Synonyms

  • 1-Hexanol, 2-ethyl-
  • 2-Aethylhexanol
  • 2-Aethylhexanol [German]
  • 2-Ethyl-1-hexanol
  • 2-Ethylhexanol
  • 2-Ethylhexyl alcohol
  • 4-01-00-01783 (Beilstein Handbook Reference)
  • AI3-00940
  • Alcohol, 2-ethylhexyl
  • BRN 1719280
  • CCRIS 2292
  • EC 203-234-3
  • EINECS 203-234-3
  • Ethylhexanol
  • FEMA No. 3151
  • HSDB 1118
  • NSC 9300
  • Octyl alcohol
  • UNII-XZV7TAA77P

Systematic Names

  • 1-Hexanol, 2-ethyl-
  • 2-Ethylhexan-1-ol

Superlist Names

  • 1-Hexanol, 2-ethyl-
  • 2-Ethyl-1-hexanol
  • 2-Ethylhexanol
  • 2-Ethylhexyl alcohol
  • Ethylhexanol, 2-

Registry Numbers

CAS Registry Number

  • 104-76-7

FDA UNII

  • XZV7TAA77P

Other Registry Number

  • 111675-57-1

Related Registry Number

  • 1070-10-6 (titanium(4+) salt)

System Generated Number

  • 0000104767

Structure Descriptors

InChI

1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3

InChIKey

YIWUKEYIRIRTPP-UHFFFAOYSA-N

Smiles

CCCCC(CC)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1860mg/kg (1860mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
mouse LD50 intraperitoneal 759mg/kg (759mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
mouse LD50 oral 2500mg/kg (2500mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
mouse LD50 parenteral 1670mg/kg (1670mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 775, 1979.
rabbit LD50 oral 1180mg/kg (1180mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
rabbit LD50 skin 1970mg/kg (1970mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 61, 1974.
rat LC inhalation > 2000ppm/6H (2000ppm)   Kodak Company Reports. Vol. 21MAY1971,
rat LD50 intraperitoneal 500mg/kg (500mg/kg)   Hydrometallurgy. Vol. 3, Pg. 201, 1978.
rat LD50 oral 3730mg/kg (3730mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973.
rat LD50 parenteral 4600mg/kg (4600mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 775, 1979.
rat LD50 skin > 3gm/kg (3000mg/kg)   National Technical Information Service. Vol. OTS0524344,
rat LD50 subcutaneous 650mg/kg (650mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 61, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.00E+01 deg C   EXP
Boiling Point 184.6 deg C   EXP
log P (octanol-water) 2.730 (none)   EST
Water Solubility 880 mg/L 25 EXP
Vapor Pressure 0.136 mm Hg 25 EXP
Henry's Law Constant 2.65E-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.