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
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) |
Application: |
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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 |