24127

tert-Butanol

≥99% (GC)

• Synonym(s): 2-Methyl-2-propanol, tert-Butyl alcohol, Trimethyl carbinol
• Linear Formula: (CH₃)₃COH
• CAS Number: 75-65-0
• Molecular Weight: 74.12
• Beilstein: 906698
• EC Number: 200-889-7
• MDL number: MFCD00004464
• UNSPSC Code: 41116107
• PubChem Substance ID: 329752576
• NACRES: NA.21

Properties

• vapor density: 2.5 (vs air)
• vapor pressure: 31 mmHg ( 20 °C); 44 mmHg ( 26 °C)
• Assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 896 °F
• expl. lim.: 8 %
• impurities: ≤0.001% free acid (as C₃H₇COOH); ≤0.001% non-volatile matter; ≤0.1% water (Karl Fischer)
• refractive index: n20/D 1.387 (lit.)
• pH: 7 (20 °C)
• bp: 83 °C (lit.)
• mp: 23-26 °C (lit.)
• density: 0.775 g/mL at 25 °C (lit.)
• SMILES string: CC(C)(C)O
• InChI: 1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
• InChI key: DKGAVHZHDRPRBM-UHFFFAOYSA-N

Description

General description

tert-Butanol is a tertiary alcohol. Aqueous potassium peroxodisulfate undergoes photolysis in the presence of tert-butanol on irradiation with 254nm light at 20°C to afford hydrogen sulfate.

Application

tert-Butanol may be employed for the preparation of carbohydrate fatty acid esters. It may be employed as a reaction medium during the production of fatty acid methyl ester (FAME) from waste cooking palm oil (WCPO) by lipase-catalyzed reaction.

It can be used for the butylation of p-cresol in the presence of 12-tungstophosphoric acid supported on zirconia catalyst. 2-tert-Butyl-p-cresol (TBC), 2,6-di-tert-butyl-p-cresol (DTBC) and tert-butyl-p-tolyl ether (ether) are formed as butylation reaction products.

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H319,H332,H335,H336
• Precautionary Statements: P210 - P233 - P240 - P241 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• Target Organs: Central nervous system, Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 59.0 °F - closed cup
• Flash Point(C): 15 °C - closed cup