In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 8 | No |
Popular Name: Ethyl pyruvate Ethyl pyruvate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 130190-69-1 , 617-35-6 , [617-35-6]
2-Propenoic acid, 2-hydroxy-, ethyl ester (9CI)
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) | 0.10 | 3.49 | -5.18 | 0 | 3 | 0 | 43 | 116.116 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.86 | 1.92 | -40.43 | 0 | 3 | -1 | 49 | 115.108 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 58 | Acros Organics |
Melting_Point | 58? | Alfa-Aesar |
Melting_Point | 58° | Alfa-Aesar |
BP | 142 | TCI |
Boiling_Point | 143-145? | Alfa-Aesar |
Boiling_Point | 143-145° | Alfa-Aesar |
BP | 144° | Oakwood Chemical |
BP [°C] | 148 - 150 | Acros Organics |
H phrase | H319: Causes serious eye irritation | Acros Organics |
H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation; H226: Flammable liquid and vapor | 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 | R10: Flammable. | Acros Organics |
R phrase | R10: Flammable.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
S phrase | S16: Keep away from sources of ignition - No smoking.; 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 |