| Chemical & Physical Properties | |
|---|---|
| CAS Number | 888325-29-9 |
| Catalog No. | 2A-2187199 |
| Chinese Name | 4-羟基-3,3-二甲基环己酮 |
| Synonyms | 4-Hydroxy-3,3-dimethyl-cyclohexanone; 4-Hydroxy-3,3-dimethylcyclohexanone |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.2 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 229.8±33.0 °C at 760 mmHg |
| Storage Condition | 2-8°C, sealed, dry |
| Application | 4-Hydroxy-3,3-dimethylcyclohexanone is a key intermediate in the synthesis of hAChE inhibitors. |
| HTC | 2914400090 |
| PubChem ID | 16601071 |
| MDL Number | MFCD18157601 |
| SMILES | CC1(C)CC(=O)CCC1O |
| InChI | InChI=1S/C8H14O2/c1-8(2)5-6(9)3-4-7(8)10/h7,10H,3-5H2,1-2H3 |
| InChI Key | TVEFGDBEVBAUDD-UHFFFAOYSA-N |
| Use of | 4-Hydroxy-3,3-dimethylcyclohexanone is a key intermediate for the synthesis of hAChE inhibitor[1]. Properties Name 4-hydroxy-3,3-dimethylcyclohexan-1-one Synonym More Synonyms 4-Hydroxy-3,3-dimethylcyclohexanone Biological Activity Description 4-Hydroxy-3,3-dimethylcyclohexanone is a key intermediate for the synthesis of hAChE inhibitor[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Sandra Gemma , et al. Discovery of Huperzine A-tacrine Hybrids as Potent Inhibitors of Human Cholinesterases Targeting Their Midgorge Recognition Sites. J Med Chem. 2006 Jun 1;49(11):3421-5. Chemical & Physical Properties Molecular Formula C8H14O2 Exact Mass 142.099380 PSA 37.30000 Index of Refraction 1.472 InChIKey TVEFGDBEVBAUDD-UHFFFAOYSA-N SMILES CC1(C)CC(=O)CCC1O Safety Information HS Code 2914400090 Synthetic Route Total: 1 Page 7,7-Dimethyl-1,... CAS#:131206-74-1 4-Hydroxy-3,3-d... CAS#:888325-29-9 Literature: Gemma, Sandra; Gabellieri, Emanuele; Huleatt, Paul; Fattorusso, Caterina; Borriello, Marianna; Catalanotti, Bruno; Butini, Stefania; De Angelis, Meri; Novellino, Ettore; Nacci, Vito; Belinskaya, Tatyana; Saxena, Ashima; Campiani, Giuseppe Journal of Medicinal Chemistry, 2006 , vol. 49, # 11 p. 3421 - 3425 7,7-dimethyl-1,... CAS#:134409-06-6 4-Hydroxy-3,3-d... CAS#:888325-29-9 Literature: Gemma, Sandra; Gabellieri, Emanuele; Huleatt, Paul; Fattorusso, Caterina; Borriello, Marianna; Catalanotti, Bruno; Butini, Stefania; De Angelis, Meri; Novellino, Ettore; Nacci, Vito; Belinskaya, Tatyana; Saxena, Ashima; Campiani, Giuseppe Journal of Medicinal Chemistry, 2006 , vol. 49, # 11 p. 3421 - 3425 Precursor & DownStream Precursor 2 CAS#:131206-74-1 7,7-Dimethyl-1,... CAS#:134409-06-6 7,7-dimethyl-1,... DownStream 0 |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product name: Summary 2914400090 other ketone-alcohols and ketone-aldehydes. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff:5.5%. General tariff:30.0% |
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