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Key Documents

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:
Molecular Weight:
102.17
Beilstein:
1718951
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

86.0 °F - closed cup

Flash Point(C)

30 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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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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