| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 6 | Yes |
Popular Name: 2-methylbutan-1-ol 2-methylbutan-1-ol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 137-32-6 , 1565-80-6 , 34713-94-5
| 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) | 1.31 | 0.92 | -2.34 | 1 | 1 | 0 | 20 | 88.15 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 70 | Acros Organics |
| MP | 72 - -70 | Enamine Building Blocks |
| MP | 72...-70 | Enamine Building Blocks |
| BP | 128 | TCI |
| Boiling_Point | 129-131? | Alfa-Aesar |
| Boiling_Point | 129-131° | Alfa-Aesar |
| BP [°C] | 130 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Melting_Point | <-70? | Alfa-Aesar |
| Melting_Point | <-70° | Alfa-Aesar |
| Patent Database Links | EP1647268; EP1873152; US2002043207 | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H332: Harmful if inhaled; H226: Flammable liquid and vapor; EUH066: Repeated exposure may cause skin dryness or cracking | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R20: Harmful by inhalation.; R37: Irritating to respiratory system.; R66: Repeated exposure may cause skin dryness or cracking. | Acros Organics |
| S phrase | S46: If swallowed, seek medical advice immediately and show this container or label. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.