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471712

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:
75-65-0
Molecular Weight:
74.12
UNSPSC Code:
12352001
NACRES:
NA.21
PubChem Substance ID:
57650901
EC Number:
200-889-7
Beilstein/REAXYS Number:
906698
MDL number:
MFCD00004464
Assay:
≥99.5%
Grade:
anhydrous
Bp:
83 °C (lit.)
Vapor pressure:
31 mmHg ( 20 °C), 44 mmHg ( 26 °C)
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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

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).

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system, Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

59.0 °F - closed cup

flash_point_c

15 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT2140
SHBR5545
SHBP0338
SHBS1469
0000197004

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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)
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)
Tert-butanol dehydration to isobutylene via reactive distillation.
Knifton JF, et al.
Catalysis Letters, 73(1), 55-57 (2001)
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