trans-2-Methylcyclohexanol

Name: <I>trans</I>-2-Methylcyclohexanol
Brand: ALDRICH
Price: 126 USD

99%

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About This Item

Linear Formula:

CH₃C₆H₁₀OH

CAS Number:

7443-52-9

Molecular Weight:

114.19

NACRES:

NA.22

PubChem Substance ID:

24850772

UNSPSC Code:

12352100

EC Number:

231-186-3

MDL number:

MFCD00064168

Assay:

99%

Key Documents

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InChI key

NDVWOBYBJYUSMF-RNFRBKRXSA-N

InChI

1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m1/s1

SMILES string

C[C@@H]1CCCC[C@H]1O

assay

99%

refractive index

n20/D 1.461 (lit.)

bp

167.2-167.6 °C (lit.)

mp

−21 °C (lit.)

density

0.924 g/mL at 25 °C (lit.)

functional group

hydroxyl

Quality Level

100

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Chemistry & Biochemicals

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This Item	153087	M38400	153095
Sigma-Aldrich 178829 trans-2-Methylcyclohexanol	Sigma-Aldrich 153087 2-Methylcyclohexanol, mixture of cis and trans	Sigma-Aldrich M38400 2-Methylcyclohexanone	Sigma-Aldrich 153095 4-Methylcyclohexanol, mixture of cis and trans
assay 99%	assay 99%	assay 99%	assay 98%
Quality Level 100	Quality Level 100	Quality Level 100	Quality Level 100
density 0.924 g/mL at 25 °C (lit.)	density 0.93 g/mL at 25 °C (lit.)	density 0.924 g/mL at 25 °C (lit.)	density 0.914 g/mL at 25 °C (lit.)
refractive index n20/D 1.461 (lit.)	refractive index n20/D 1.462 (lit.)	refractive index n20/D 1.448 (lit.)	refractive index n20/D 1.458 (lit.)
mp −21 °C (lit.)	mp -	mp -	mp -
bp 167.2-167.6 °C (lit.)	bp 163-166 °C (lit.)	bp 162-163 °C (lit.)	bp 171-173 °C (lit.)

Application

2-Methylcyclohexanol was used in the fragment-based crystallographic screening against HIV protease[1].

General description

2-Methylcyclohexanol binds to the exo-site of the small molecules[1].

pictograms

GHS02,GHS07

signalword

Warning

hcodes

H226,H332

pcodes

P210 - P233 - P240 - P241 - P242 - P304 + P340 + P312

Hazard Classifications

Acute Tox. 4 Inhalation - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

138.2 °F - closed cup

flash_point_c

59 °C - closed cup

ppe

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

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Fragment-based screen against HIV protease.

Alexander L Perryman et al.

Chemical biology & drug design, 75(3), 257-268 (2010-07-28)

We have employed a fragment-based screen against wild-type (NL4-3) HIV protease (PR) using the Active Sight fragment library and X-ray crystallography. The experiments reveal two new binding sites for small molecules. PR was co-crystallized with fragments, or crystals were soaked

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