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)
• technique(s): GC/GC: suitable
• 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 %
• technique(s): GC/GC: suitable
• 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.[1] It participates in the 12-tungstophosphoric acid supported on zirconia (TPA/ZrO₂) catalyzed butylation of p-cresol.[2]

Application

tert-Butanol may be employed for the preparation of carbohydrate fatty acid esters.[3] 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.[4]

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.[5]
• As an hydroxyl (OH) radical scavenger in oxygenated aqueous solutions.[6]
• 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).[7]
• 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.[2]

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