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Substance Name: Isobutyl alcohol
RN: 78-83-1
UNII: 56F9Z98TEM
InChIKey: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

Note

  • Chemical remains on MTL because of additional testing actions (see OECD/SIDS, ITC Skin Absorption Rate and OPPT Neurotoxicity listings)

Molecular Formula

  • C4-H10-O

Molecular Weight

  • 74.122
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Reportable Quantity (RQ) = 5000 lb
  • TWA (50 ppm)
  • TWA 100 ppm (300 mg/m3)

Names and Synonyms

Name of Substance

  • Isobutyl alcohol

Synonyms

  • 1-Hydroxymethylpropane
  • 1-Propanol, 2-methyl-
  • 2-Methyl propanol
  • 2-Methyl-1-propanol
  • 2-Methylpropyl alcohol
  • 4-01-00-01588 (Beilstein Handbook Reference)
  • AI3-01777
  • Alcool isobutylique
  • Alcool isobutylique [French]
  • BRN 1730878
  • CCRIS 2300
  • EC 201-148-0
  • EINECS 201-148-0
  • FEMA No. 2179
  • FEMA Number 2179
  • Fermentation butyl alcohol
  • HSDB 49
  • Isobutanol
  • Isobutyl alcohol
  • Isobutyl alcohol (natural)
  • Isobutylalkohol
  • Isobutylalkohol [Czech]
  • Isopropylcarbinol
  • NSC 5708
  • RCRA waste number U140
  • UNII-56F9Z98TEM

Systematic Names

  • 1-Propanol, 2-methyl-
  • 2-Methylpropan-1-ol
  • Isobutyl alcohol

Superlist Names

  • 1-Propanol, 2-methyl-
  • Iso-butyl alcohol
  • Isobutanol
  • Isobutanol or isobutyl alcohol
  • Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid]
  • Isobutyl alcohol
  • RCRA waste no. U140
  • UN1212

Registry Numbers

CAS Registry Number

  • 78-83-1

FDA UNII

  • 56F9Z98TEM

Related Registry Numbers

  • 13259-29-5 (hydrochloride salt)
  • 3453-79-0 (aluminum salt)
  • 7425-80-1 (titanium(+4) salt)

System Generated Number

  • 0000078831

Structure Descriptors

InChI

1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

InChIKey

ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

Smiles

C(CO)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 725mg/kg (725mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 16, Pg. 1, 1920.
guinea pig LD50 intraperitoneal 1201mg/kg (1201mg/kg)   EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
hamster LD50 intraperitoneal 1401mg/kg (1401mg/kg)   EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
mouse LD50 intraperitoneal 544mg/kg (544mg/kg) LIVER: OTHER CHANGES Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.
mouse LD50 intravenous 417mg/kg (417mg/kg)   EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rabbit LD50 intraperitoneal 323mg/kg (323mg/kg)   EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rabbit LD50 skin 3400mg/kg (3400mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 11, 1974.
rabbit LDLo oral 3750mg/kg (3750mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Laboratory and Clinical Medicine. Vol. 10, Pg. 985, 1925.
rat LCLo inhalation 8000ppm/4H (8000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 intraperitoneal 720mg/kg (720mg/kg)   EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rat LD50 intravenous 340mg/kg (340mg/kg)   EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
rat LD50 oral 2460mg/kg (2460mg/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 -1.08E+02 deg C   EXP
Boiling Point 107.8 deg C   EXP
log P (octanol-water) 0.76 (none)   EXP
Water Solubility 8.50E+04 mg/L 25 EXP
Vapor Pressure 10.5 mm Hg 25 EXP
Henry's Law Constant 9.78E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 6.88E-12 cm3/molecule-sec 25 EST

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