| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 7 | Yes |
Popular Name: 2,2-Dimethyl-1,3-propanediol 2,2-Dimethyl-1,3-propanediol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 126-30-7 , 1985-51-9 , 2223-82-7 , [126-30-7]
"2,2-Dimethyl-1,3-propanediol, 99.5%"
2,2-Dimethyl-1,3-propanediol, 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) | 0.21 | -2.27 | -4.62 | 2 | 2 | 0 | 40 | 104.149 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 122 - 128 | Acros Organics |
| Melting_Point | 125-130? | Alfa-Aesar |
| Melting_Point | 125-130° | Alfa-Aesar |
| MP | 128 | TCI |
| BP [°C] | 208 | Acros Organics |
| Boiling_Point | 210-212? | Alfa-Aesar |
| Boiling_Point | 210-212° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| R phrase | R41: Risk of serious damage to eyes. | 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.; S39: Wear eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.