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Substance Name: Amylene hydrate [NF]
RN: 75-85-4
UNII: 69C393R11Z
InChIKey: MSXVEPNJUHWQHW-UHFFFAOYSA-N

Classification Codes

  • Human Data
  • Pharmaceutic Aid (Solvent)

Molecular Formula

  • C5-H12-O

Molecular Weight

  • 88.1488
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-2-butanol
  • Amylene hydrate [NF]
  • tert-Amyl alcohol

Synonyms

  • 1,1-Dimethyl-1-propanol
  • 2-Butanol, 2-methyl-
  • 2-Methyl butanol-2
  • 2-Methyl-2-butanol
  • 3-Methyl-butanol-(3)
  • 3-Methyl-butanol-(3) [German]
  • 3-Methylbutan-3-ol
  • 4-01-00-01668 (Beilstein Handbook Reference)
  • AI3-24191
  • Amylalkohol, tertiaerer
  • Amylene hydrate
  • Amylenum hydratum
  • BRN 1361351
  • Dimethyl ethyl carbinol
  • Dimethylethylcarbinol
  • EC 200-908-9
  • EINECS 200-908-9
  • Ethyl dimethyl carbinol
  • Ethyldimethylcarbinol
  • HSDB 5005
  • NSC 25498
  • t-Amyl alcohol
  • t-Pentyl alcohol
  • tert-Amyl alcohol
  • tert-Isoamyl alcohol
  • tert-n-Amyl alcohol
  • tert-Pentanol
  • tert-Pentyl alcohol
  • UNII-69C393R11Z

Systematic Names

  • 2-Butanol, 2-methyl-
  • 2-Methylbutan-2-ol
  • tert-Pentyl alcohol

Superlist Names

  • 2-Butanol, 2-methyl-
  • 2-Methyl-2-butanol
  • tert-Amyl alcohol

Registry Numbers

CAS Registry Number

  • 75-85-4

FDA UNII

  • 69C393R11Z

System Generated Number

  • 0000075854

Structure Descriptors

InChI

1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3

InChIKey

MSXVEPNJUHWQHW-UHFFFAOYSA-N

Smiles

C(CC)(C)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo parenteral 4gm/kg (4000mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935.
man LDLo unreported 441mg/kg (441mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
mouse LD50 intravenous 610mg/kg (610mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
mouse LD50 subcutaneous 2100mg/kg (2100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955.
mouse LDLo intraperitoneal 2gm/kg (2000mg/kg)   Skandinavisches Archiv fuer Physiologie. Vol. 79, Pg. 258, 1938.
mouse LDLo oral 2500mg/kg (2500mg/kg)   "Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
rabbit LD50 oral 2028mg/kg (2028mg/kg) SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

CARDIAC: PULSE RATE
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rat LCLo inhalation 5700ppm/6H (5700ppm) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0536478,
rat LD50 oral 1gm/kg (1000mg/kg) BEHAVIORAL: ATAXIA Science. Vol. 116, Pg. 663, 1952.
rat LDLo intraperitoneal 1530mg/kg (1530mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 1, 1945.
rat LDLo rectal 1400mg/kg (1400mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 49, Pg. 36, 1933.
rat LDLo subcutaneous 1400mg/kg (1400mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 49, Pg. 36, 1933.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.80E+00 deg C   EXP
Boiling Point 102.4 deg C   EXP
log P (octanol-water) 0.89 (none)   EXP
Water Solubility 1.10E+05 mg/L 25 EXP
Vapor Pressure 16.8 mm Hg 25 EXP
Henry's Law Constant 1.38E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.89E-12 cm3/molecule-sec 25 EST

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