| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 8 | Yes |
Popular Name: Ethyl lactate Ethyl lactate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 687-47-8 , 7699-00-5 , 97-64-3 , [687-47-8] , [7699-00-5]
(S)-(-)-2-Hydroxypropionic acid ethyl ester
2-Hydroxy-propionic acid ethyl ester
2-[(4-benzylpiperazin-1-yl)methyl]isoindoline-1,3-dione
2-[[4-(phenylmethyl)-1-piperazinyl]methyl]isoindole-1,3-dione
ethyl (2S)-2-hydroxypropanoate
Propanoic 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) | 0.28 | 1.33 | -8.44 | 1 | 3 | 0 | 47 | 118.132 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 25? | Alfa-Aesar |
| Melting_Point | 25° | Alfa-Aesar |
| Mp [°C] | 26 | Acros Organics |
| Boiling_Point | 152-155? | Alfa-Aesar |
| Boiling_Point | 152-155° | Alfa-Aesar |
| BP [°C] | 154 | Acros Organics |
| BP | 70 / 36 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 99% | Fluorochem |
| Warnings | Flammable | Matrix Scientific |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H335: May cause respiratory irritation; H226: Flammable liquid and vapor | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P30 | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R37: Irritating to respiratory system.; R41: Risk of serious damage to eyes. | Acros Organics |
| S phrase | S24: Avoid contact with skin. | Acros Organics |
| S phrase | S24: Avoid contact with skin.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S39: Wear eye/face protection. | Acros Organics |
| PUBCHEM_PATENT_ID | US5328908; US5387748; US5462940 | IBM Patent Data |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.