Skip to Content
Merck

471712

tert-Butanol

anhydrous, ≥99.5%

Synonym(s):

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

Sign In to View Organizational & Contract Pricing.

Select a Size

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
Vapor pressure:
31 mmHg ( 20 °C), 44 mmHg ( 26 °C)

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

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%

Quality Level

100

pH

7 (20 °C)

solubility

water: miscible

density

0.775 g/mL at 25 °C (lit.)

Looking for similar products? Visit Product Comparison Guide

Related Categories

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
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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 1 petroleums + Hazardous rank II + Water soluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

471712-100ML:4548173942155 + 471712-VAR: + 471712-BULK:

jan

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
SHBT2140
SHBR5545
SHBP0338
SHBS1469
0000197004

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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, 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
View All Related Papers

Articles

Solvent Miscibility Table

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.

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service