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111120

Sigma-Aldrich

2-Methyl-2-pentanol

99%

Synonym(s):

Dimethyl propyl carbinol

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About This Item

Linear Formula:
CH3CH2CH2C(CH3)2OH
CAS Number:
590-36-3
Molecular Weight:
102.17
Beilstein/REAXYS Number:
1718951
EC Number:
209-681-0
MDL number:
MFCD00004485
UNSPSC Code:
12352100
PubChem Substance ID:
24847011
NACRES:
NA.22

assay

99%

refractive index

n20/D 1.411 (lit.)

bp

120-122 °C (lit.)

mp

−109-−107 °C (lit.)

density

0.835 g/mL at 25 °C (lit.)

SMILES string

CCCC(C)(C)O

InChI

1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3

InChI key

WFRBDWRZVBPBDO-UHFFFAOYSA-N

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General description

2-Methyl-2-pentanol is a metabolite found in the urine of rats exposed to methylpentane.

Application

2-Methyl-2-pentanol has been used to study its antagonist activity. It reacts with a second target site to alter the spatial relation between the hydrophobic agonist binding site and the allosteric site.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

86.0 °F - closed cup

flash_point_c

30 °C - closed cup

ppe

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

Certificates of Analysis (COA)

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Michael F Wilkemeyer et al.
Molecular pharmacology, 62(5), 1053-1060 (2002-10-23)
1-Octanol antagonizes ethanol inhibition of L1-mediated cell adhesion and prevents ethanol teratogenesis in mouse whole embryo culture. Herein, we identify a new series of alcohol antagonists and study their mechanism of action. Cell aggregation assays were carried out in ethanol-sensitive
T Kawai et al.
Occupational and environmental medicine, 52(11), 757-763 (1995-11-01)
To investigate the possibilities of personal ambient monitoring and biological monitoring for methylpentane isomers. The performance of activated carbon cloth to absorb 2- and 3-methylpentane was studied by experimental vapour exposure followed by solvent extraction and gas chromatography (GC). Urine
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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