In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 6 | Yes |
Popular Name: 2,3-Butanediol 2,3-Butanediol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 19132-06-0 , 24347-58-8 , 513-85-9 , [19132-06-0]
"2,3-Butanediol, 98% [mixture of racemic and meso forms]"
(2S,3S)-(+)-2,3-Butanediol, 99%
(S,S)-(+)-2,3-butanediol; (S,S)-butane-2,3-diol
(S,S)-2,3-Butanediol; (S,S)-2,3-Butylene glycol; (S,S)-Butane-2,3-diol; 19132-06-0; C03046
(S,S)-2,3-butanediol; (S,S)-2,3-butylene glycol; (S,S)-butane-2,3-diol; 19132-06-0; CPD-346
2,3-Butanediol (mixture of stereoisomers)
2,3-Butanediol, 98%, mixture of racemic and meso forms, techn.
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) | -0.22 | -2.54 | -4.83 | 2 | 2 | 0 | 40 | 90.122 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP [°C] | 179 - 182 | Acros Organics |
BP [°C] | 180 | Acros Organics |
BP | 182 | TCI |
Mp [°C] | 19 | Acros Organics |
UniProt Database Links | GLDA_CITFR | ChEBI |
S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |