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Substance Name: Isoamyl alcohol
RN: 123-51-3
UNII: DEM9NIT1J4
InChIKey: PHTQWCKDNZKARW-UHFFFAOYSA-N

Molecular Formula

  • C5-H12-O

Molecular Weight

  • 88.1488
 

Classification Codes

Classification Codes

  • Human Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • TWA (100 ppm); STEL (125 ppm)
  • TWA 100 ppm (360 mg/m3)
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Names and Synonyms

Name of Substance

  • Isoamyl alcohol
  • Isopentyl alcohol

Synonyms

  • 1-Butanol, 3-methyl-
  • 2-Methyl-4-butanol
  • 3-Methyl-1-butanol
  • 3-Methylbutan-1-ol
  • 3-Methylbutanol
  • 3-Metil-butanolo
  • 3-Metil-butanolo [Italian]
  • AI3-15288
  • Alcool amilico
  • Alcool amilico [Italian]
  • Alcool isoamylique
  • Alcool isoamylique [French]
  • Amylowy alkohol
  • Amylowy alkohol [Polish]
  • CCRIS 8806
  • EC 204-633-5
  • EINECS 204-633-5
  • FEMA No. 2057
  • FEMA Number 2057
  • Fermentation amyl alcohol
  • Fusel oil
  • HSDB 605
  • Iso-amylalkohol
  • Iso-amylalkohol [German]
  • Isoamyl alcohol (natural)
  • Isoamyl alkohol
  • Isoamyl alkohol [Czech]
  • ISOAMYLALCOHOL
  • Isoamylol
  • Isobutyl carbinol
  • Isobutylcarbinol
  • Isopentanol
  • Isopentyl alcohol
  • NSC 1029
  • Primary isoamyl alcohol
  • UNII-DEM9NIT1J4

Systematic Names

  • 1-Butanol, 3-methyl-
  • 3-Methylbutan-1-ol
  • Isopentyl alcohol (8CI)

Superlist Names

  • 1-Butanol, 3-methyl-
  • Iso-amyl alcohol
  • Isoamyl alcohol
  • Isoamyl alcohol (primary and secondary)
  • Isoamyl alcohol, primary

Registry Numbers

CAS Registry Number

  • 123-51-3

FDA UNII

  • DEM9NIT1J4

Related Registry Number

  • 6423-06-9 (magnesium salt)

System Generated Number

  • 0000123513

Structure Descriptors

InChI

1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

InChIKey

PHTQWCKDNZKARW-UHFFFAOYSA-N

Smiles

C(C(C)C)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 210mg/kg (210mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978.
human TCLo inhalation 150ppm (150ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 282, 1943.
mouse LD50 intravenous 234mg/kg (234mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
mouse LDLo intraperitoneal 233mg/kg (233mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978.
mouse LDLo subcutaneous 7480mg/kg (7480mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978.
rabbit LD50 oral 3438mg/kg (3438mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

CARDIAC: PULSE RATE

SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin 3970uL/kg (3.97mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rabbit LDLo intravenous 1570mg/kg (1570mg/kg) BEHAVIORAL: ANTIPSYCHOTIC Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978.
rat LD50 oral 1300mg/kg (1300mg/kg) BLOOD: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

LIVER: FATTY LIVER DEGERATION
South African Medical Journal. Vol. 43, Pg. 795, 1969.
rat LDLo intraperitoneal 813mg/kg (813mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 132, Pg. 214, 1928.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.17E+02 deg C   EXP
Boiling Point 131.1 deg C   EXP
log P (octanol-water) 1.16 (none)   EXP
Water Solubility 2.67E+04 mg/L 25 EXP
Vapor Pressure 2.37 mm Hg 25 EXP
Henry's Law Constant 1.41E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.31E-11 cm3/molecule-sec 25 EXP

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