| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 9 | Yes |
Popular Name: 4-Methylbenzyl alcohol 4-Methylbenzyl alcohol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 34885-03-5 , 589-18-4 , [589-18-4]
4-METHYL-1-CYCLOHEXANEMETHANOL
4-Methylbenzyl alcohol; 4-Tolylcarbinol; 589-18-4; C06757; alpha-Hydroxy-p-xylene
Hexafluoro-2-(4-Tolyl)Isopropanol [2010-61-9]; (4-(Hexafluoro-2-hydroxyisopropyl)toluene)
| 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 |
|---|
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 116 / 20 | TCI |
| BP [°C] | 217 | Acros Organics |
| Boiling_Point | 217? | Alfa-Aesar |
| Boiling_Point | 217° | Alfa-Aesar |
| Mp [°C] | 56 - 61 | Acros Organics |
| Melting_Point | 57-61? | Alfa-Aesar |
| Melting_Point | 57-61° | Alfa-Aesar |
| MP | 59 - 61 | Enamine Building Blocks |
| MP | 59...61 | Enamine Building Blocks |
| MP | 60 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation | 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.