tert-Butanol
SIAL/471712 - anhydrous, ≥99.5%
Synonym: 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
Anhydrous, Sureseal
Anhydrous, Sureseal
| assay | ≥99.5% |
| autoignition temp. | 896 °F |
| bp | 83 °C (lit.) |
| density | 0.775 g/mL at 25 °C (lit.) |
| evapn. residue | <0.0003% |
| expl. lim. | 8 % |
| form | solid or liquid |
| grade | anhydrous |
| impurities | <0.005% water |
| InChI | 1S/C4H10O/c1-4(2,3)5/h5H, |
| InChI key | DKGAVHZHDRPRBM-UHFFFAOYSA |
| mp | 23-26 °C (lit.) |
| pH | 7 (20 °C) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(C)(C)O |
| solubility | water: miscible |
| vapor density | 2.5 (vs air) |
| vapor pressure | 31 mmHg ( 20 °C) |
| 44 mmHg ( 26 °C) |
| General description: | tert-Butanol (tBA) is a tertiary alcohol. It undergoes dehydration by reactive distillation in the presence of solid acid catalyst to form isobutylene with high selectivity. Lipase-mediated alcoholysis of soybean oil deodorizer distillate (SODD) has been conducted in tBA (as reaction medium) to generate biodiesel. Formation of 2-tert-butyl-p-cresol (TBC), 2,6-di-tert-butyl-p-cresol (DTBC) and tert-butyl-p-tolyl ether has been reported when p-cresol undergoes butylation by tBA in the presence of 12-tungstophosphoric acid supported on zirconia (TPA/ZrO2) catalyst. The interaction behavior of tBA on the Si (001)-(2×1) surface has been assessed by using the ab-initio density functional theory (DFT) based on pseudopotential approach. |
| Packaging: | 100 mL in Sure/Seal™ |
| 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 | ≥99.5% |
| bp | 83 °C (lit.) |
| mp | 23-26 °C (lit.) |
| Density | 0.775 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352001 |