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Merck

50621

tert-Butanol

analytical standard

Synonyme(s) :

Alcool tert-butylique, Triméthyl-carbinol

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A propos de cet article

Formule linéaire :
(CH3)3COH
Numéro CAS:
75-65-0
Poids moléculaire :
74.12
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329757613
EC Number:
200-889-7
Beilstein/REAXYS Number:
906698
MDL number:
MFCD00004464

Principaux documents

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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

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

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Catégories apparentées

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.

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

Classe de stockage

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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Certificats d'analyse (COA)

Lot/Batch Number
BCCP5353
BCCN4058
BCCM7632
BCCL6895
BCCK2130

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Retrouvez la documentation relative aux produits que vous avez récemment achetés dans la Bibliothèque de documents.

Consulter la Bibliothèque de documents

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)
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
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
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