| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 11 | Yes |
Popular Name: Ethyl benzoate Ethyl benzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 32874-26-3 , 3289-28-9 , 93-89-0
(Ethyl benzoate)chromium tricarbonyl
(Ethyl benzoate)tricarbonylchromium
(Ethyl benzoate)tricarbonylchromium, 98%
Cyclohexanecarboxylic acid ethyl ester
Cyclohexanecarboxylicacidethylester
| 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) | 2.48 | 2.3 | -5.89 | 0 | 2 | 0 | 26 | 150.177 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.011 | Bitter DB |
| Mp [°C] | 34 | Acros Organics |
| Melting_Point | 34? | Alfa-Aesar |
| Melting_Point | 34° | Alfa-Aesar |
| Boiling_Point | 194-196? | Alfa-Aesar |
| Boiling_Point | 194-196° | Alfa-Aesar |
| BP [°C] | 212 | Acros Organics |
| Boiling_Point | 212-214? | Alfa-Aesar |
| Boiling_Point | 212-214° | Alfa-Aesar |
| Melting_Point | 54-59? | Alfa-Aesar |
| Melting_Point | 54-59° | Alfa-Aesar |
| Purity | 97% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P302+ P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | 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 for several minutes. Remove contact lenses, if present | Acros Organics |
| R phrase | R36/38: Irritating to eyes 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.