| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 5 | No |
Popular Name: Hydroxyacetone Hydroxyacetone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 116-09-6 , 9/6/116 , [116-09-6]
1-hydroxy-2-propanone; 1-hydroxyacetone; acetol; acetylmethanol; hydroxyacetone
Hydroxyacetone contains =500 ppm sodium carbonate as stabilizer
| 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) | -0.77 | -0.06 | -9.97 | 1 | 2 | 0 | 37 | 74.079 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 17 | Acros Organics |
| Melting_Point | 17? | Alfa-Aesar |
| Melting_Point | 17° | Alfa-Aesar |
| BP [°C] | 145 - 146 | Acros Organics |
| Boiling_Point | 145-146? | Alfa-Aesar |
| Boiling_Point | 145-146° | Alfa-Aesar |
| Purity | >80% | Fluorochem |
| UniProt Database Links | ADHN_RHOER; FSAA_ECOLI; GLDA_ECOLI; GPR_ECO57; GPR_ECOLI; HAPMO_PSEFL; HIS6A_ARATH; HIS6B_ARATH; HIS81_ANAVT; HIS81_ARCFU; HIS81_BACAN; HIS81_BACC1; HIS81_BACCR; HIS81_BACCZ; HIS81_BACHK; HIS81_BORBR; HIS81_BORPA; HIS81_BORPE; HIS81_BRADU; HIS81_BURMA; HI | ChEBI |
| Patent Database Links | EP0784936; EP1422213; US2007072944; US2007265459; WO2008152043; WO2008152045 | ChEBI |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.