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
• UNSPSC Code: 12352001
• 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.

Application

• Synthesis of Ribose - Oleic Acid Esters in the Presence- and Absence of Candida antarctica Lipase B.: This study investigates the synthesis of ribose-oleic acid esters using tert-Butanol as a solvent, both with and without the presence of Candida antarctica Lipase B. The research explores the efficiency and effectiveness of the enzyme-catalyzed process, highlighting the impact of tert-Butanol on the synthesis reaction. The findings contribute to the understanding of esterification processes in analytical chemistry and have potential applications in developing new synthetic methods (Çetinkaya et al., 2020).

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