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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:
1718951
EC Number:
209-681-0
MDL number:
MFCD00004485
UNSPSC Code:
12352100
PubChem Substance ID:
24847011
NACRES:
NA.22

Quality Level

100

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

Signal Word

Warning

Hazard Statements

H226,H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

86.0 °F

Flash Point(C)

30 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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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