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Merck

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
grade:
anhydrous
assay:
≥99.5%
bp:
83 °C (lit.)
vapor pressure:
31 mmHg ( 20 °C)
44 mmHg ( 26 °C)

Product Name

tert-Butanol, anhydrous, ≥99.5%

InChI key

DKGAVHZHDRPRBM-UHFFFAOYSA-N

InChI

1S/C4H10O/c1-4(2,3)5/h5H,1-3H3

SMILES string

CC(C)(C)O

grade

anhydrous

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.)

Quality Level

100

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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).

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.

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)
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)
Zaida Lentini et al.
Frontiers in plant science, 11, 522-522 (2020-05-28)
Embryo rescue (ER) in cassava breeding has several relevant applications, from the recovery of broad crosses to the recovery of seeds from the standard pollination program. Cassava fruit setting may drop from 100%, during the 1st week after pollination, to
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