| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 6 | No |
Popular Name: 2,3-Butanedione 2,3-Butanedione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 25395-31-7 , 3/8/431 , 431-03-8 , 5536-61-8
2,3-Butadione; 2,3-Diketobutane; 2,3-Dioxobutane; 2,3-butandione; Dimethyl glyoxal; diacetyl
2,3-Butanedione; 431-03-8; Biacetyl; C00741; Diacetyl; Dimethylglyoxal
| 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) | -0.60 | 1.91 | -3.69 | 0 | 2 | 0 | 34 | 86.09 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 3? | Alfa-Aesar |
| Melting_Point | 3° | Alfa-Aesar |
| Mp [°C] | 4 | Acros Organics |
| Boiling_Point | 87-88? | Alfa-Aesar |
| Boiling_Point | 87-88° | Alfa-Aesar |
| BP [°C] | 88 | Acros Organics |
| UniProt Database Links | CBPM_STRAL; CHLG_AVESA; DNRF_STREF; GLD2_HYPJE; GPA17_CAEBR; GPA17_CAEEL; GR21A_DROME; GR63A_DROME; ODR10_CAEBR; ODR10_CAEEL; ODR4_CAEEL; ODR7_CAEEL; PGLA_CAMJE; PGLJ_CAMJE | ChEBI |
| Patent Database Links | EP1176140; EP1310488; EP1405646; GB2120938; GB2233974; US2003013702; US2003026850; US2004068007; US2004142904; US2005080003; US2005143355; US2005261242; US2006135511; US2006148790; US2006258721; US2007155709; US2007184076; US2007259956; US2008214511; WO20 | ChEBI |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XN: Harmful | Acros Organics |
| H phrase | H225: Highly flammable liquid and vapor; H302: Harmful if swallowed; H331: Toxic if inhaled; H315: Causes skin irritation; H317: May cause an allergic skin reaction | Acros Organics |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P310: Immediately call a POISON CENTER o | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R20/22: Harmful by inhalation and if swallowed.; R36/38: Irritating to eyes and skin. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.