| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 7 | Yes |
Popular Name: 4-Methyl-2-pentanol 4-Methyl-2-pentanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108-11-2 , 11/2/108 , 14898-80-7 , 16404-54-9 , [108-11-2]
"(R)-(-)-4-Methyl-2-pentanol, 98.5% [ee: 99%]"
(+/-)-4-Methyl-2-pentanol, 99%
| 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) | 1.70 | 1.72 | -2.12 | 1 | 1 | 0 | 20 | 102.177 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 90 | Acros Organics |
| Melting_Point | 90? | Alfa-Aesar |
| Melting_Point | 90° | Alfa-Aesar |
| Boiling_Point | 130-131? | Alfa-Aesar |
| Boiling_Point | 130-131° | Alfa-Aesar |
| Boiling_Point | 131-133? | Alfa-Aesar |
| Boiling_Point | 131-133° | Alfa-Aesar |
| BP [°C] | 132 | Acros Organics |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0314245B1; EP0481732A1; EP0481732B1; EP0936899A1; WO1998010741A1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0346789A2; EP0395446A2; EP0619345A1; EP0619345B1; EP0723961A1; US3993682; US4024176; US4032655; US4035379; US4088780; US4152426; US5646273; US5750229 | IBM Patent Data |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H226: Flammable liquid and vapor | 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.; R37: Irritating to respiratory system. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
