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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
- All
- Classifications
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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,1-3H3InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-NSmiles
CC(C)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.