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Substance Name: t-Butyl alcohol
RN: 75-65-0
UNII: MD83SFE959
InChIKey: DKGAVHZHDRPRBM-UHFFFAOYSA-N

Note

  • An isomer of butanol that contains a tertiary butyl group that consists of three methyl groups, each separately attached to a central (tertiary) carbon.

Molecular Formula

  • C4-H10-O

Molecular Weight

  • 74.122
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • TWA (100 ppm); Not classifiable as a human carcinogen
  • TWA 100 ppm (300 mg/m3)
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Names and Synonyms

Name of Substance

  • 2-Methyl-2-propanol
  • 2-Propanol, 2-methyl-
  • t-Butyl alcohol
  • tert-Butyl alcohol
  • Trimethyl carbinol

MeSH Heading

  • tert-Butyl alcohol

Synonyms

  • 1,1-Dimethylethanol
  • 2-Methyl-2-propanol
  • 2-Propanol, 2-methyl-
  • 4-01-00-01609 (Beilstein Handbook Reference)
  • AI3-01288
  • Alcool butylique tertiaire
  • Alcool butylique tertiaire [French]
  • Arconol
  • BRN 0906698
  • Butanol tertiaire
  • Butanol tertiaire [French]
  • Caswell No. 124A
  • CCRIS 4755
  • EC 200-889-7
  • EINECS 200-889-7
  • HSDB 50
  • Methanol, trimethyl-
  • NCI-C55367
  • t-Butanol
  • t-Butyl alcohol
  • t-Butyl hydroxide
  • tert-Butanol
  • tert-Butyl alcohol
  • tertiary-Butanol
  • Trimethyl carbinol
  • Trimethyl methanol
  • Trimethylcarbinol
  • Trimethylmethanol
  • UNII-MD83SFE959

Systematic Names

  • 2-Methylpropan-2-ol
  • 2-Propanol, 2-methyl-
  • tert-Butyl alcohol

Superlist Names

  • 2-Propanol, 2-methyl-
  • t-Butyl alcohol
  • tert-Butanol
  • tert-Butyl alcohol

Registry Numbers

CAS Registry Number

  • 75-65-0

FDA UNII

  • MD83SFE959

System Generated Number

  • 0000075650

Structure Descriptors

InChI

InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3

InChIKey

DKGAVHZHDRPRBM-UHFFFAOYSA-N

Smiles

CC(C)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo parenteral 12gm/kg (12000mg/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.
guinea pig LD50 skin > 10mL/kg (10mL/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"		 National Technical Information Service. Vol. OTS0556680,
mouse LD50 intraperitoneal 399mg/kg (399mg/kg) LIVER: OTHER CHANGES Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.
mouse LD50 intravenous 1538mg/kg (1538mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
rabbit LD50 oral 3559mg/kg (3559mg/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 > 2gm/kg (2000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0572351,
rat LC50 inhalation > 10000ppm/4H (10000ppm) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 National Technical Information Service. Vol. OTS0572351,
rat LD50 oral 2743mg/kg (2743mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 National Technical Information Service. Vol. OTS0572351,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 25.4 deg C   EXP
Boiling Point 82.4 deg C   EXP
pKa Dissociation Constant 19.2 (none) 25 EXP
log P (octanol-water) 0.35 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EXP
Vapor Pressure 40.7 mm Hg 25 EXP
Henry's Law Constant 9.05E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.12E-12 cm3/molecule-sec 25 EXP

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