| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2006 | 6 | Yes |
Popular Name: cis-2-Butene-1,4-diol cis-2-Butene-1,4-diol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 110-64-5 , 6117-80-2 , 821-11-4 , [110-64-5] , [6117-80-2]
| 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) | -0.43 | -3.25 | -5.26 | 2 | 2 | 0 | 40 | 88.106 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 131-132?/12mm | Alfa-Aesar |
| Boiling_Point | 131-132°/12mm | Alfa-Aesar |
| BP [°C] | 235 | Acros Organics |
| Melting_Point | 6-8? | Alfa-Aesar |
| Melting_Point | 6-8° | Alfa-Aesar |
| Mp [°C] | 7 | Acros Organics |
| Purity | 98% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: | 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 |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.