2,4,4-Trimethyl-6-oxocyclohexanecarboxylic acid methyl ester
2,4,4-Trimethyl-6-oxocyclohexanecarboxylic acid methyl ester structure
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Common Name | 2,4,4-Trimethyl-6-oxocyclohexanecarboxylic acid methyl ester | ||
|---|---|---|---|---|
| CAS Number | 54576-10-2 | Molecular Weight | 198.25900 | |
| Density | 0.996g/cm3 | Boiling Point | 256.5ºC at 760 mmHg | |
| Molecular Formula | C11H18O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 105.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate |
|---|---|
| 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 | 0.996g/cm3 |
|---|---|
| Boiling Point | 256.5ºC at 760 mmHg |
| Molecular Formula | C11H18O3 |
| Molecular Weight | 198.25900 |
| Flash Point | 105.5ºC |
| Exact Mass | 198.12600 |
| PSA | 43.37000 |
| LogP | 1.80080 |
| Index of Refraction | 1.443 |
| InChIKey | ZYRYVGBRDTVCMK-UHFFFAOYSA-N |
| SMILES | COC(=O)C1C(=O)CC(C)(C)CC1C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2918300090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
2,4,4-Trimethyl... CAS#:54576-10-2 |
| Literature: Salomon,R.G.; Salomon,M.F. Journal of Organic Chemistry, 1975 , vol. 40, # 10 p. 1488 - 1492 |
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~%
2,4,4-Trimethyl... CAS#:54576-10-2 |
| Literature: Salomon,R.G.; Salomon,M.F. Journal of Organic Chemistry, 1975 , vol. 40, # 10 p. 1488 - 1492 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918300090 |
|---|---|
| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6-Acetoxy-3,3,5-trimethyl-cyclohexanon |
| methyl 2,4,4-trimethyl-6-oxocyclohexanecarboxylate |
| 2-Carbomethoxy-3.5.5-trimethoxycyclohexanon |
| Cyclohexanecarboxylic acid,2,4,4-trimethyl-6-oxo-,methyl ester |
| Carbomethoxydihydroisophorone |
| 2,4,4-Trimethyl-6-oxocyclohexanecarboxylic acid methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate? |
| A: Molecular formula of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate is C11H18O3. |
| Q: What are the upstream materials of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate? |
| A: Related upstream materials(CAS) of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate: 54576-04-4;4694-17-1. |
| Q: What is the SMILES notation of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate? |
| A: SMILES notation of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate is COC(=O)C1C(=O)CC(C)(C)CC1C. |
| Q: What is the boiling point of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate? |
| A: Boiling point of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate is 256.5ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate? |
| A: Polar surface area (PSA) of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate is 43.37000. |
| Q: What is the LogP of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate? |
| A: LogP of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate is 1.80080. |
| Q: What English synonyms does methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate have? |
| A: English synonyms of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate: 6-Acetoxy-3,3,5-trimethyl-cyclohexanon, methyl 2,4,4-trimethyl-6-oxocyclohexanecarboxylate, 2-Carbomethoxy-3.5.5-trimethoxycyclohexanon, Cyclohexanecarboxylic acid,2,4,4-trimethyl-6-oxo-,methyl ester, Carbomethoxydihydroisophorone, 2,4,4-Trimethyl-6-oxocyclohexanecarboxylic acid methyl ester. |
| Q: What is the English name of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate? |
| A: The English name of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate is methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate. |
| Q: What is the InChIKey of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate? |
| A: InChIKey of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate is ZYRYVGBRDTVCMK-UHFFFAOYSA-N. |
| Q: What is the molecular weight of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate? |
| A: Molecular weight of methyl 2,4,4-trimethyl-6-oxocyclohexane-1-carboxylate is 198.25900. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |