| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 9 | Yes |
Popular Name: Tert-butyl propiolate Tert-butyl propiolate
Find On: PubMed — Wikipedia — Google
CAS Number: 13831-03-3
| 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) | 1.52 | 3.65 | -7.29 | 0 | 2 | 0 | 26 | 126.155 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 18 - 20 | Acros Organics |
| Melting_Point | 18-20? | Alfa-Aesar |
| Melting_Point | 18-20° | Alfa-Aesar |
| BP [°C] | 52 - 53 (p=27 torr) | Acros Organics |
| Boiling_Point | 52-53?/27mm | Alfa-Aesar |
| Boiling_Point | 52-53°/27mm | Alfa-Aesar |
| BP | 53 / 27 | TCI |
| Purity | 98% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; 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; P280: Wear protective gloves/protective clothing/eye protection/face protection; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P302 + P352: IF ON SKIN: Wash with plenty of s | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; S23: Do not breathe gas/fumes/vapour/spray.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves an | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
