| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 7 | Yes |
Popular Name: 4-Pentynoic acid 4-Pentynoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 101917-30-0 , 459-32-5 , 6089-09-4 , 9/4/6089 12:00:00 AM
| 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) | 0.26 | 3.22 | -44.35 | 0 | 2 | -1 | 40 | 97.093 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 109-110?/30mm | Alfa-Aesar |
| Boiling_Point | 109-110°/30mm | Alfa-Aesar |
| BP [°C] | 110 (p=30 torr) | Acros Organics |
| Mp [°C] | 54 - 58 | Acros Organics |
| Melting_Point | 54-58? | Alfa-Aesar |
| Melting_Point | 54-58° | Alfa-Aesar |
| MP | 55 - 57 | Enamine Building Blocks |
| MP | 55...57 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| Warnings | Corrosive/Light Sensitive/Air Sensitive/Hygroscopic/Refrigerate | Matrix Scientific |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage; H332: Harmful if inhaled; H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns. | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.