| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 10 | Yes |
Popular Name: 1-Phenyl-2-propyn-1-ol 1-Phenyl-2-propyn-1-ol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4187-87-5 , 61317-73-5 , 64599-56-0 , [4187-87-5]
| 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) | 1.29 | 3.27 | -4.43 | 1 | 1 | 0 | 20 | 132.162 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 115 / 14 | TCI |
| Mp [°C] | 22 | Acros Organics |
| BP [°C] | 231 - 233 | Acros Organics |
| Boiling_Point | 231-233? | Alfa-Aesar |
| Boiling_Point | 231-233° | Alfa-Aesar |
| Melting_Point | 26-30? | Alfa-Aesar |
| Melting_Point | 26-30° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; 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 | XN: Harmful | Acros Organics |
