tert-Butanol
SIGALD/19460 - puriss. p.a., ACS reagent, ≥99.7% (GC)
Synonym: TBA; 2-Methyl-2-propanol; tert-Butyl alcohol; Trimethyl carbinol
CAS Number: 75-65-0
Empirical Formula (Hill Notation): C4H10O
Molecular Weight: 74.12
EC Number: 200-889-7
MDL Number: MFCD00004464
Linear Formula: (CH3)3COH
Product Type: Chemical
| assay | ≥99.7% (GC) |
| autoignition temp. | 896 °F |
| bp | 83 °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 | |
| density | 0.775 g/mL at 25 °C (lit.) |
| evapn. residue | ≤0.001% |
| expl. lim. | 8 % |
| form | solid or liquid |
| grade | ACS reagent |
| puriss. p.a. | |
| impurities | ≤0.1% water |
| <0.01% carbonyl compounds (as HCHO) | |
| InChI | 1S/C4H10O/c1-4(2,3)5/h5H, |
| InChI key | DKGAVHZHDRPRBM-UHFFFAOYSA |
| mp | 23-26 °C (lit.) |
| pH | 7 (20 °C) |
| Quality Level | 200  |
| refractive index | n |
| n |
|
| SMILES string | CC(C)(C)O |
| technique(s) | GC/GC: suitable |
| vapor density | 2.5 (vs air) |
| vapor pressure | 31 mmHg ( 20 °C) |
| 44 mmHg ( 26 °C) |
| 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. |
| Application: | 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. |
| 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. |
| Symbol |   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 Codes | F,Xn |
| Risk Statements | 11-20-36/37 |
| Safety Statements | 9-16-46 |
| RIDADR | UN1120 - class 3 - PG 2 - Butanols |
| WGK Germany | WGK 1 |
| Flash Point(F) | 59.0 °F - closed cup |
| Flash Point(C) | 15 °C - closed cup |
| Purity | ≥99.7% (GC) |
| bp | 83 °C (lit.) |
| mp | 23-26 °C (lit.) |
| Density | 0.775 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12191601 |