| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2005 | 12 | Yes |
Popular Name: 3-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one 3-acetyl-4-hydroxy-6-methyl-2H-p…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4418-26-2 , 520-45-6 , 64039-28-7 , 66606-21-1 , 771-03-9 , [4418-26-2]
"Dehydroacetic acid sodium salt, 99%"
2H-pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-
3-acetyl-2-hydroxy-6-methyl-4H-pyran-4-one
3-Acetyl-4-hydroxy-6-methyl-2-pyrone
3-Acetyl-4-hydroxy-6-methyl-2-pyrone sodium salt
3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione
4418-26-2; D05856; Sodium dehydroacetate (NF)
Dehydracetic acid;Dehydroacetic acid;Methylacetopyronone
DEHYDROACETIC ACID SODIUM SALT
Dehydroacetic acid sodium salt monohydrate
Dehydroacetic acid sodium salt, 99%
Dehydroacetic acid, sodium salt; >98%
Sodium 3-acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2H-pyran-3-ide
| 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) | 0.46 | 4.22 | -45.18 | 0 | 4 | -1 | 70 | 167.14 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.32 | 4.19 | -12.93 | 0 | 4 | 0 | 60 | 168.148 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 109-113? | Alfa-Aesar |
| Melting_Point | 109-113° | Alfa-Aesar |
| Boiling_Point | 269-270? | Alfa-Aesar |
| Boiling_Point | 269-270° | Alfa-Aesar |
| Mp [°C] | 295 | Acros Organics |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| Melting_Point | ca 295? dec. | Alfa-Aesar |
| Melting_Point | ca 295° dec. | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0000819A1; EP0001887A1; EP0007785A2; EP0009361A1; EP0019435A2; EP0022955A1; EP0035268A1; EP0038564A1; EP0048280A1; EP0049576A2; EP0061910A2; EP0062362A1; EP0063180A1; EP0067513A2; EP0071197A1; EP0093907A1; EP0095892A1; EP0119102A2; EP0128445A1; EP013176 | IBM Patent Data |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
