Skip to Content
Merck
CN
All Photos(1)

Documents

Safety Information

50621

Supelco

tert-Butanol

analytical standard

Sign Into View Organizational & Contract Pricing
All Photos(1)
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:
41116107
PubChem Substance ID:
329757613
NACRES:
NA.24

grade

analytical standard

Quality Level

100

vapor density

2.5 (vs air)

vapor pressure

31 mmHg ( 20 °C)
44 mmHg ( 26 °C)

Assay

≥99.8% (GC)

autoignition temp.

896 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

8 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.387 (lit.)
n20/D 1.387

bp

83 °C (lit.)

mp

23-26 °C (lit.)

density

0.775 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

SMILES string

CC(C)(C)O

InChI

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

InChI key

DKGAVHZHDRPRBM-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Related Categories

General description

tert-Butanol is a tertiary alcohol and an isomer of butanol. It is commercially produced from isobutane and is used as a solvent, ethanol denaturant, etc.

Application

The analytical standard can also be used as follows:
  • Detection and quantification of butanol and its isomers in paint samples by a rapid fast gas chromatography-proton transfer reaction-mass spectrometer (FastGC-PTR-MS) method
  • Simultaneous assessment of 121 VOCs emitted from 41 cellulose acetate movie films by proton transfer reaction-time-of-flight-mass spectrometry (PTR-ToF-MS)
  • As an internal standard in the determination of n-butane and its metabolites in the blood, heart, and tissue samples of three autopsy cases that died due to sniffling n-butane and isobutane from portable gas cartridges
  • Headspace-single drop microextraction (HS-SDME) of VOCs from different types of tomato samples for their quantification by gas chromatography-flame ionization detection (GC-FID)

Other Notes

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Recommended products

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319,H332,H335,H336

Hazard Classifications

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

Target Organs

Central nervous system, Respiratory system

WGK

WGK 1

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

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

Visit the Document Library

Alkylation of p-cresol with tert-butanol catalyzed by heteropoly acid supported on zirconia catalyst
Devassy.MB, et al.
J. Mol. Catal. A: Chem., 210, 125-130 (2004)
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, 29-32 (2006)
Ee Ling Yong et al.
Water research, 46(6), 1990-1998 (2012-02-14)
Ozonation is widely employed in water treatment to purify water. The R(ct) concept, which is defined as the ratio of OH exposure to ozone exposure, has been commonly used to quantify the OH concentration generating from ozone decomposition and model
Jaime Salazar et al.
European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V, 81(1), 82-90 (2012-01-12)
Nanosizing is a non-specific approach to improve the oral bioavailability of poorly soluble drugs. The decreased particle size of these compounds results in an increase in surface area. The outcome is an increased rate of dissolution, which can lead to
Arnau Bassegoda et al.
Applied microbiology and biotechnology, 97(19), 8559-8568 (2013-01-22)
Rhodococci are highly adaptable bacteria, capable to degrade or transform a large number of organic compounds, including recalcitrant or toxic products. However, little information is available on the lipases of the genus Rhodococcus, except for LipR, the first lipase isolated
View All Related Papers

Articles

The Utility of Headspace Grade Solvents for the Analysis of Organic Volatile Impurities

The Utility of Headspace Grade Solvents for the Analysis of Organic Volatile Impurities

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