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Merck
CN

50621

tert-Butanol

analytical standard

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
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
200-889-7
Beilstein/REAXYS Number:
906698
MDL number:
Technical Service
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grade

analytical standard

Quality Level

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

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

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

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


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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

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 Information

危险化学品

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Articles

顶空级溶剂在有机挥发性杂质分析之中的应用

Learn about analyzing organic volatile impurities (OVIs) in pharmaceuticals using SH-GC, focusing on suitable solvents and ensuring compliance.


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)
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



Global Trade Item Number

SKUGTIN
50621-1ML-F04061832448954
50621-5ML-F04061832448961