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471712

Sigma-Aldrich

tert-Butanol

anhydrous, ≥99.5%

Synonym(s):

2-Methyl-2-propanol, tert-Butyl alcohol, Trimethyl carbinol

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About This Item

Linear Formula:
(CH3)3COH
CAS Number:
Molecular Weight:
74.12
Beilstein/REAXYS Number:
906698
EC Number:
MDL number:
UNSPSC Code:
12352001
PubChem Substance ID:
NACRES:
NA.21

grade

anhydrous

Quality Level

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

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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.

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).

pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system, Respiratory system

wgk_germany

WGK 1

flash_point_f

59.0 °F

flash_point_c

15 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

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Lipase-catalyzed biodiesel production from soybean oil deodorizer distillate with absorbent present in tert-butanol system.
Wang L, et al.
Journal of Molecular Catalysis. B, Enzymatic, 43(1), 29-32 (2006)
Atomic and electronic properties of tert-butanol on the Si (001)-(2?1) surface.
Kaderoglu C, et al.
European Physical Journal B: Condensed Matter and Complex Systems, 76(3), 359-363 (2010)
Tert-butanol dehydration to isobutylene via reactive distillation.
Knifton JF, et al.
Catalysis Letters, 73(1), 55-57 (2001)
Zaida Lentini et al.
Frontiers in plant science, 11, 1180-1180 (2020-08-28)
This work describes the application of clearing on vibratome sections to study the embryo formation in cassava. This procedure provides high-resolution images and reduces significantly the number of sections that need to be analyzed per ovule. This methodology was instrumental
Alkylation of p-cresol with tert-butanol catalyzed by heteropoly acid supported on zirconia catalyst.
Devassy BM, et al.
J. Mol. Catal. A: Chem., 210(1), 125-130 (2004)

Articles

Substances are said to be miscible in one another if they dissolve to form a uniform solution. Bookmark or download our miscibility table for common lab solvents.

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