3,3,5-Trimethylcyclohexanone
3,3,5-Trimethylcyclohexanone structure
|
Common Name | 3,3,5-Trimethylcyclohexanone | ||
|---|---|---|---|---|
| CAS Number | 873-94-9 | Molecular Weight | 140.22300 | |
| Density | 0.887 g/mL at 25 °C(lit.) | Boiling Point | 188-192 °C(lit.) | |
| Molecular Formula | C9H16O | Melting Point | −10 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 150 °F | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,3,5-Trimethylcyclohexanone |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.887 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 188-192 °C(lit.) |
| Melting Point | −10 °C(lit.) |
| Molecular Formula | C9H16O |
| Molecular Weight | 140.22300 |
| Flash Point | 150 °F |
| Exact Mass | 140.12000 |
| PSA | 17.07000 |
| LogP | 2.40170 |
| Index of Refraction | n20/D 1.445(lit.) |
| InChIKey | POSWICCRDBKBMH-UHFFFAOYSA-N |
| SMILES | CC1CC(=O)CC(C)(C)C1 |
| Water Solubility | 13 g/L (20 ºC) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S39-S28A |
| WGK Germany | 1 |
| RTECS | GW2185000 |
| HS Code | 2914220000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914299000 |
|---|---|
| Summary | 2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00019466 |
| EINECS 212-855-9 |
| 3,3,5-trimethylcyclohexan-1-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: How is the water solubility of 3,3,5-Trimethylcyclohexanone? |
| A: Water solubility of 3,3,5-Trimethylcyclohexanone: 13 g/L (20 ºC). |
| Q: What is the SMILES notation of 3,3,5-Trimethylcyclohexanone? |
| A: SMILES notation of 3,3,5-Trimethylcyclohexanone is CC1CC(=O)CC(C)(C)C1. |
| Q: What is the molecular weight of 3,3,5-Trimethylcyclohexanone? |
| A: Molecular weight of 3,3,5-Trimethylcyclohexanone is 140.22300. |
| Q: What English synonyms does 3,3,5-Trimethylcyclohexanone have? |
| A: English synonyms of 3,3,5-Trimethylcyclohexanone: MFCD00019466, EINECS 212-855-9, 3,3,5-trimethylcyclohexan-1-one. |
| Q: What is the CAS number of 3,3,5-Trimethylcyclohexanone? |
| A: CAS number of 3,3,5-Trimethylcyclohexanone is 873-94-9. |
| Q: What is the safety information for 3,3,5-Trimethylcyclohexanone? |
| A: Safety information for 3,3,5-Trimethylcyclohexanone: S26-S39-S28A. |
| Q: What is the InChIKey of 3,3,5-Trimethylcyclohexanone? |
| A: InChIKey of 3,3,5-Trimethylcyclohexanone is POSWICCRDBKBMH-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 3,3,5-Trimethylcyclohexanone? |
| A: Molecular formula of 3,3,5-Trimethylcyclohexanone is C9H16O. |
| Q: What is the melting point of 3,3,5-Trimethylcyclohexanone? |
| A: Melting point of 3,3,5-Trimethylcyclohexanone is −10 °C(lit.). |
| Q: What is the English name of 3,3,5-Trimethylcyclohexanone? |
| A: The English name of 3,3,5-Trimethylcyclohexanone is 3,3,5-Trimethylcyclohexanone. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |