| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 9 | No |
Popular Name: Ethyl hydrogen malonate Ethyl hydrogen malonate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1071-46-1 , 6148-64-7 , [1071-46-1]
"Ethyl hydrogen malonate, 98%"
"Ethyl potassium malonate, 98%"
Ethyl hydrogen malonate; bmse000579; mono-Ethyl malonate
Ethyl malonate, potassium salt
Malonic acid monoethyl ester potassium salt
Monoethyl malonate potassium salt
| 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) | -0.24 | 3.31 | -48.09 | 0 | 4 | -1 | 66 | 131.107 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 106.5 (p=3 torr) | Acros Organics |
| Boiling_Point | 106?/3mm | Alfa-Aesar |
| Boiling_Point | 106°/3mm | Alfa-Aesar |
| MP | 197-202° (dec) | Oakwood Chemical |
| Mp [°C] | 200 | Acros Organics |
| MP | 200 - 202 | Enamine Building Blocks |
| MP | 200...202 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Melting_Point | ca 200? dec. | Alfa-Aesar |
| Melting_Point | ca 200° dec. | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0604368A1; EP0604368B1 | IBM Patent Data |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.