19460

tert-Butanol

puriss. p.a., ACS reagent, ≥99.7% (GC)

• Synonym(s): TBA, 2-Methyl-2-propanol, tert-Butyl alcohol, Trimethyl carbinol
• Linear Formula: (CH₃)₃COH
• CAS Number: 75-65-0
• Molecular Weight: 74.12
• Beilstein/REAXYS Number: 906698
• EC Number: 200-889-7
• MDL number: MFCD00004464
• UNSPSC Code: 12191601
• PubChem Substance ID: 329751880
• NACRES: NA.21
• assay: ≥99.7% (GC)
• bp: 83 °C (lit.)
• vapor pressure: 31 mmHg ( 20 °C); 44 mmHg ( 26 °C)

Properties

• grade: ACS reagent; puriss. p.a.
• Quality Level: 200
• vapor density: 2.5 (vs air)
• vapor pressure: 31 mmHg ( 20 °C); 44 mmHg ( 26 °C)
• assay: ≥99.7% (GC)
• form: solid or liquid
• autoignition temp.: 896 °F
• expl. lim.: 8 %
• impurities: ≤0.1% water; <0.01% carbonyl compounds (as HCHO)
• evapn. residue: ≤0.001%
• refractive index: n20/D 1.387 (lit.); n20/D 1.387
• pH: 7 (20 °C)
• bp: 83 °C (lit.)
• mp: 23-26 °C (lit.)
• density: 0.775 g/mL at 25 °C (lit.)
• cation traces: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sn: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• 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 peroxodisulphate undergoes photolysis in the presence of tert-butanol on irradiation with 254nm light at 20°C. It participates in the 12-tungstophosphoric acid supported on zirconia (TPA/ZrO₂) catalyzed butylation of p-cresol.

Application

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

tert-Butanol may be used in the following processes:

• As a solvent for the lipase-mediated alcoholysis of soybean oil deodorizer distillate (SODD) to generate biodiesel.
• As an hydroxyl (OH) radical scavenger in oxygenated aqueous solutions.
• As both reactant and solvent for the etherification of glycerol over solid acid catalysts to produce glycerol mono-buthoxy ethers (GMBEs) and glycerol di-buthoxy ethers (GDBEs).
• As an alkylating agent for p-cresol in the presence of a heteropoly acid to form 2-tert-butyl-p-cresol and 2,6-di-tert-butyl-p-cresol as the main products.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H319,H332,H335,H336
• pcodes: 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: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 59.0 °F - closed cup
• flash_point_c: 15 °C - closed cup