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Merck
CN

110949

3-Methyl-2-butanol

98%

Synonym(s):

Isopropyl methyl carbinol

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About This Item

Linear Formula:
(CH3)2CHCH(OH)CH3
CAS Number:
598-75-4
Molecular Weight:
88.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846868
EC Number:
209-950-2
Beilstein/REAXYS Number:
1718800
MDL number:
MFCD00004527

Key Documents

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Product Name

3-Methyl-2-butanol, 98%

InChI key

MXLMTQWGSQIYOW-UHFFFAOYSA-N

InChI

1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3

SMILES string

CC(C)C(C)O

assay

98%

refractive index

n20/D 1.409 (lit.)

bp

112 °C (lit.)

density

0.818 g/mL at 25 °C (lit.)

functional group

hydroxyl

Quality Level

100

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Application

3-Methyl-2-butanol has been used as a reference for microbially produced, volatile organic compounds (MVOC) in GC-MS analyses.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Flam. Liq. 3 - STOT SE 3

target_organs

Respiratory system

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

93.2 °F - closed cup

flash_point_c

34 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBT1730
SHBS2377
SHBS0100
SHBQ8249
SHBN1140

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Alberto Moreno et al.
The journal of physical chemistry. A, 116(42), 10383-10389 (2012-10-04)
The rate coefficients for the reaction of NO(3) radical with 2-butanol, 3-methyl-2-butanol, and 2,3-dimethyl-2-butanol were determined using relative rate technique in a 50 L glass pyrex photoreactor using in situ FT-IR spectroscopy at room temperature and a pressure of 350-670
A Korpi et al.
Applied and environmental microbiology, 64(8), 2914-2919 (1998-08-04)
We examined growth of mixed microbial cultures (13 fungal species and one actinomycete species) and production of volatile compounds (VOCs) in typical building materials in outside walls, separating walls, and bathroom floors at various relative humidities (RHs) of air. Air
Marianthi Karali et al.
PloS one, 6(7), e22166-e22166 (2011-08-06)
Gene transfer using adeno-associated viral (AAV) vectors has been successfully applied in the retina for the treatment of inherited retinal dystrophies. Recently, microRNAs have been exploited to fine-tune transgene expression improving therapeutic outcomes. Here we evaluated the ability of retinal-expressed
Pascal Fuchsmann et al.
Journal of agricultural and food chemistry, 63(34), 7511-7521 (2015-08-01)
To establish the odor profiles of three differently fabricated commercial Swiss Tilsit cheeses, analyses were conducted using headspace solid-phase microextraction gas chromatography-mass spectrometry/pulsed flame photometric detection and gas chromatography-olfactometry to identify and quantitate volatile compounds. In addition, odor quality and
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

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