471712

tert-Butanol

anhydrous, ≥99.5%

• Synonym(s): 2-Methyl-2-propanol, tert-Butyl alcohol, Trimethyl carbinol
• Linear Formula: (CH₃)₃COH
• CAS Number: 75-65-0
• Molecular Weight: 74.12
• Beilstein: 906698
• EC Number: 200-889-7
• MDL number: MFCD00004464
• PubChem Substance ID: 57650901
• NACRES: NA.21

Properties

• grade: anhydrous
• Quality Level: 100
• vapor density: 2.5 (vs air)
• vapor pressure: 31 mmHg ( 20 °C); 44 mmHg ( 26 °C)
• Assay: ≥99.5%
• form: solid or liquid
• autoignition temp.: 896 °F
• expl. lim.: 8 %
• impurities: <0.005% water
• evapn. residue: <0.0003%
• refractive index: n20/D 1.387 (lit.)
• pH: 7 (20 °C)
• bp: 83 °C (lit.)
• mp: 23-26 °C (lit.)
• solubility: water: miscible
• density: 0.775 g/mL at 25 °C (lit.)
• 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 (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.

Safety Information

• Pictograms: 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 Classifications: Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 59.0 °F - closed cup
• Flash Point(C): 15 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves