178829

trans-2-Methylcyclohexanol

99%

• Fórmula lineal: CH₃C₆H₁₀OH
• Número de CAS: 7443-52-9
• Peso molecular: 114.19
• EC Number: 231-186-3
• MDL number: MFCD00064168
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850772
• NACRES: NA.22

Propiedades

• 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.)
• SMILES string: C[C@@H]1CCCC[C@H]1O
• InChI: 1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
• InChI key: NDVWOBYBJYUSMF-RNFRBKRXSA-N

Descripción

General description

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

Application

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

Información de seguridad

• 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_germany: 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