3,5,5-trimethylcyclohex-3-en-1-one
3,5,5-trimethylcyclohex-3-en-1-one structure
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Common Name | 3,5,5-trimethylcyclohex-3-en-1-one | ||
|---|---|---|---|---|
| CAS Number | 471-01-2 | Molecular Weight | 138.20700 | |
| Density | 0.905g/cm3 | Boiling Point | 189.2ºC at 760mmHg | |
| Molecular Formula | C9H14O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 64.2ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,5,5-trimethylcyclohex-3-en-1-one |
|---|---|
| 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 | 0.905g/cm3 |
|---|---|
| Boiling Point | 189.2ºC at 760mmHg |
| Molecular Formula | C9H14O |
| Molecular Weight | 138.20700 |
| Flash Point | 64.2ºC |
| Exact Mass | 138.10400 |
| PSA | 17.07000 |
| LogP | 2.32180 |
| Vapour Pressure | 0.578mmHg at 25°C |
| Index of Refraction | 1.455 |
| InChIKey | LKOKKQDYMZUSCG-UHFFFAOYSA-N |
| SMILES | CC1=CC(C)(C)CC(=O)C1 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~82%
3,5,5-trimethyl... CAS#:471-01-2 |
| Literature: Constantino, Mauricio Gomes; Donate, Paulo Marcos; Frederico, Daniel; Carvalho, Tecia Vieira; Cardoso, Luiz Eduardo; Zukerman-Schpector, Julio Synthetic Communications, 2000 , vol. 30, # 18 p. 3327 - 3340 |
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~%
3,5,5-trimethyl... CAS#:471-01-2 |
| Literature: Hutter, R.; Mallat, T.; Baiker, A. Journal of the Chemical Society, Chemical Communications, 1995 , # 24 p. 2487 - 2488 |
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~%
3,5,5-trimethyl... CAS#:471-01-2 |
| Literature: Kharasch; Tawney Journal of the American Chemical Society, 1941 , vol. 63, p. 2308,2313 Journal of the American Chemical Society, 1945 , vol. 67, p. 128,130 |
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~%
3,5,5-trimethyl... CAS#:471-01-2
Learn More
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| Literature: Kharasch; Tawney Journal of the American Chemical Society, 1941 , vol. 63, p. 2308,2313 Journal of the American Chemical Society, 1945 , vol. 67, p. 128,130 Full Text Show Details Kharasch et al. Journal of Organic Chemistry, 1956 , vol. 21, p. 322 Anm. 4 |
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~%
3,5,5-trimethyl... CAS#:471-01-2 |
| Literature: Wolff Justus Liebigs Annalen der Chemie, 1902 , vol. 322, p. 389 Full Text Show Details Bredt; Ruebel Justus Liebigs Annalen der Chemie, 1898 , vol. 299, p. 179 Full Text Show Details Tissier Annales de Chimie (Cachan, France), 1893 , vol. <6>29, p. 335 Full Text Show Details Kerp Justus Liebigs Annalen der Chemie, 1896 , vol. 290, p. 148 Full Text Show Details Kerp; Mueller Justus Liebigs Annalen der Chemie, 1898 , vol. 299, p. 214 Full Text Show Details Bredt; Ruebel Justus Liebigs Annalen der Chemie, 1896 , vol. 289, p. 10 Justus Liebigs Annalen der Chemie, 1898 , vol. 299, p. 166 |
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~%
3,5,5-trimethyl... CAS#:471-01-2 |
| Literature: Wolff Justus Liebigs Annalen der Chemie, 1902 , vol. 322, p. 389 |
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~%
Detail
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| Literature: Kharasch; Tawney Journal of the American Chemical Society, 1941 , vol. 63, p. 2308,2313 Journal of the American Chemical Society, 1945 , vol. 67, p. 128,130 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 5 | |
CAS#:1125-21-9
CAS#:14203-59-9
CAS#:6293-60-3This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3,3,5-trimethyl-cyclohex-4-en-1-one |
| 3,5,5-TRIMETHYL-3-CYCLOHEXEN-1-ONE |
| 3,5,5-trimethylcyclohexa-3-en-1-one |
| 3-Cyclohexen-1-one,3,5,5-trimethyl |
| 3,5,5-trimethylcyclohexa-3-en-one |
| trimethyl-3,5,5 cyclohexene-3 one-1 |
| 3,5,5-Trimethyl-3-cyclohexen-1-one |
| EINECS 207-434-1 |
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 3,5,5-trimethylcyclohex-3-en-1-one? |
| A: Molecular formula of 3,5,5-trimethylcyclohex-3-en-1-one is C9H14O. |
| Q: What is the SMILES notation of 3,5,5-trimethylcyclohex-3-en-1-one? |
| A: SMILES notation of 3,5,5-trimethylcyclohex-3-en-1-one is CC1=CC(C)(C)CC(=O)C1. |
| Q: What is the LogP of 3,5,5-trimethylcyclohex-3-en-1-one? |
| A: LogP of 3,5,5-trimethylcyclohex-3-en-1-one is 2.32180. |
| Q: What is the English name of 3,5,5-trimethylcyclohex-3-en-1-one? |
| A: The English name of 3,5,5-trimethylcyclohex-3-en-1-one is 3,5,5-trimethylcyclohex-3-en-1-one. |
| Q: What are the downstream products of 3,5,5-trimethylcyclohex-3-en-1-one? |
| A: Related downstream products(CAS) of 3,5,5-trimethylcyclohex-3-en-1-one: 78-59-1;1125-21-9;14203-59-9;10276-21-8;6293-60-3. |
| Q: What is the molecular weight of 3,5,5-trimethylcyclohex-3-en-1-one? |
| A: Molecular weight of 3,5,5-trimethylcyclohex-3-en-1-one is 138.20700. |
| Q: What English synonyms does 3,5,5-trimethylcyclohex-3-en-1-one have? |
| A: English synonyms of 3,5,5-trimethylcyclohex-3-en-1-one: 3,3,5-trimethyl-cyclohex-4-en-1-one, 3,5,5-TRIMETHYL-3-CYCLOHEXEN-1-ONE, 3,5,5-trimethylcyclohexa-3-en-1-one, 3-Cyclohexen-1-one,3,5,5-trimethyl, 3,5,5-trimethylcyclohexa-3-en-one, trimethyl-3,5,5 cyclohexene-3 one-1, 3,5,5-Trimethyl-3-cyclohexen-1-one, EINECS 207-434-1. |
| Q: What is the boiling point of 3,5,5-trimethylcyclohex-3-en-1-one? |
| A: Boiling point of 3,5,5-trimethylcyclohex-3-en-1-one is 189.2ºC at 760mmHg. |
| Q: What are the upstream materials of 3,5,5-trimethylcyclohex-3-en-1-one? |
| A: Related upstream materials(CAS) of 3,5,5-trimethylcyclohex-3-en-1-one: 78-59-1;75-16-1;67-64-1;141-79-7;141-97-9;60-29-7;7705-08-0. |
| Q: What is the polar surface area (PSA) of 3,5,5-trimethylcyclohex-3-en-1-one? |
| A: Polar surface area (PSA) of 3,5,5-trimethylcyclohex-3-en-1-one is 17.07000. |