| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 11 | Yes |
Popular Name: 2-Isopropyl-5-methylcyclohexanone 2-Isopropyl-5-methylcyclohexanone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10458-14-7 , 14073-97-3 , 16883-45-7 , 18309-28-9 , 3391-87-5 , 412324-05-1 , 491-07-6 , 89-80-5 , [10458-14-7] , [14073-97-3]
(+)-Isomenthone;(1R,4R)-(+)-p-Menthan-3-one;(1R,4R)-p-menthan-3-one;D-Isomenthone;D-Menthone
(-)-Isomenthone; 18309-28-9; C17125; l-Isomenthone
(-)-Menthone [14073-97-3]; (p-Menthan-3-one)
(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
1-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)- (9CI)
5-methyl-2-(propan-2-yl)cyclohexanone
Cyclohexanone,5-methyl-2-(1-methylethyl)-,(2R,5S)-
Menthone, 98%, mixture of isomers
Menthone, mixture of isomers, 98%
Tetramethylammonium borohydride
| 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) | 3.15 | 6.28 | -4.14 | 0 | 1 | 0 | 17 | 154.253 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.318 | Bitter DB |
| Mp [°C] | 6 | Acros Organics |
| MP | 6 °C | Indofine |
| BP [°C] | 207 | Acros Organics |
| BP | 88 / 15 | TCI |
| Purity | 95% | Fluorochem |
| Melting_Point | >250? dec. | Alfa-Aesar |
| Melting_Point | >250° dec. | Alfa-Aesar |
| Boiling_Point | ca 207? | Alfa-Aesar |
| Boiling_Point | ca 207° | Alfa-Aesar |
| H phrase | H412: Harmful to aquatic life with long lasting effects | Acros Organics |
| Target | NF-kappa-B inhibitor alpha(P25963)&Transcription factor p65(Q04206)&Prostaglandin G/H synthase 2(P35354) | Herbal Ingredients Targets |
| P phrase | P273: Avoid release to the environment | Acros Organics |
| R phrase | R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| PUBCHEM_PATENT_ID | US4032478 | IBM Patent Data |
