In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2004 | 6 | Yes |
Popular Name: (R)-(-)-1,3-Butanediol (R)-(-)-1,3-Butanediol
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CAS Numbers: 107-88-0 , 1117-31-3 , 19485-03-1 , 24621-61-2 , 3/5/6290 12:00:00 AM , 6290-03-5
(±)-1,3-Butanediol, 99%, extra pure
(±)-1,3-Butanediol, 99%, pure
1,3-Butanediol [for Biochemical Research]
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) | -0.32 | -2.95 | -4.44 | 2 | 2 | 0 | 40 | 90.122 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Melting_Point | 50? | Alfa-Aesar |
Melting_Point | 50° | Alfa-Aesar |
Mp [°C] | 54 | Acros Organics |
Molecular_Solubility | 0.155 | Bitter DB |
BP | 107-110° | Oakwood Chemical |
BP | 107-110°/23mm | Oakwood Chemical |
BP | 117 / 40 | TCI |
BP [°C] | 203 - 204 | Acros Organics |
Boiling_Point | 203-204? | Alfa-Aesar |
Boiling_Point | 203-204° | Alfa-Aesar |
BP | 207 | TCI |
Purity | 98% | Fluorochem |