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Substance Name: Isooctyl alcohol
RN: 26952-21-6
UNII: 24SN77KGQP

Note

  • Fragrance.

Molecular Formula

  • C8-H18-O

Molecular Weight

  • 131.237
 

Classification Codes

Classification Code

  • Skin / Eye Irritant

Superlist Classification Code

  • TWA (50 ppm); skin
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Links to Resources

Names and Synonyms

Name of Substance

  • Isooctyl alcohol

Synonyms

  • EINECS 248-133-5
  • Exxal 8
  • HSDB 6486
  • Isooctanol
  • Isooctyl alcohol
  • UNII-24SN77KGQP

Systematic Names

  • Isooctan-1-ol
  • Isooctanol
  • Isooctyl alcohol

Superlist Names

  • Isooctanol
  • Isooctyl alcohol

Registry Numbers

CAS Registry Number

  • 26952-21-6

FDA UNII

  • 24SN77KGQP

Other Registry Numbers

  • 1341-41-9
  • 8031-46-7

System Generated Number

  • 0026952216

Structure Descriptors

Smiles

C(CCCO)CCC.C*

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 140mg/kg (140mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mammal (species unspecified) LD50 unreported 1670mg/kg (1670mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LD50 oral 1670mg/kg (1670mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 77, 1982.
rabbit LD50 skin 2520mg/kg (2520mg/kg)   "Alcohols: Their Chemistry, Properties and Manufacture," Monick, J.A., New York, Reinhold Book, 1968Vol. -, Pg. 72, 1968.
rat LD50 oral 1480mg/kg (1480mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.17E+02 deg C   EXP
log P (octanol-water) 2.730 (none)   EST
Water Solubility 640 mg/L   EXP
Vapor Pressure 1.95 mm Hg 50 EXP
Henry's Law Constant 3.10E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.25E-11 cm3/molecule-sec 25 EST

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