UCSF

ZINC01672810

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 Yes

Popular Name: 4-Methylcyclohexanol 4-Methylcyclohexanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 25639-42-3 , 589-91-3 , 7731-28-4 , 7731-29-5 , [589-91-3]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.36 2.21 -3.04 1 1 0 20 114.188 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 10? Alfa-Aesar
Melting_Point 10° Alfa-Aesar
Mp [°C] 41 Acros Organics
Melting_Point 41? Alfa-Aesar
Melting_Point 41° Alfa-Aesar
BP 171 TCI
BP [°C] 171 - 173 Acros Organics
Boiling_Point 171-173? Alfa-Aesar
Boiling_Point 171-173° Alfa-Aesar
Boiling_Point 172-173? Alfa-Aesar
Boiling_Point 172-173° Alfa-Aesar
Boiling_Point 173-175? Alfa-Aesar
Boiling_Point 173-175° Alfa-Aesar
Purity 95% Fluorochem
H phrase H226: Flammable liquid and vapor; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P280: Wear protective gloves/protective clothing/eye protect Acros Organics
R phrase R10: Flammable. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.