| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 12 | Yes |
Popular Name: Ethyl 4-oxocyclohexanecarboxylate Ethyl 4-oxocyclohexanecarboxylate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 17159-79-4 , N/A , [17159-79-4]
"Ethyl 4-oxocyclohexanecarboxylate 4-Cyclohexanonecarboxylic acid ethyl ester, 97%"
4-(ETHOXYCARBONYL)CYCLOHEXANONE
4-Oxocyclohexanecarboxylic acid ethyl ester
Cyclohexanecarboxylic acid, 4-oxo-, ethyl ester
Ethyl 4-Cyclohexanonecarboxylate
Ethyl 4-oxocyclohexane carboxylate
ethyl 4-oxocyclohexane-1-carboxylate
Ethyl 4-oxocyclohexanecarboxylate, 97%
Ethyl cyclohexanone-4-carboxylate
Ethyl-4-oxo-cyclohexane carboxylate
Ethyl-4-oxocyclohexane carboxylate
Ethyl4-Oxocyclohexanecarboxylate
| 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) | 1.03 | 5.46 | -8.37 | 0 | 3 | 0 | 43 | 170.208 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 150 - 152 (p=40 torr) | Acros Organics |
| Boiling_Point | 150-152?/40mm | Alfa-Aesar |
| BP | 150-152°/40mm | Matrix Scientific |
| BP | 152 / 40 | TCI |
| MP | 221-226° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Purity | 99% | Fluorochem |
| 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 | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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 |
