4,4-dimethyl-1,3-cyclohexanedione
4,4-dimethyl-1,3-cyclohexanedione structure
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Common Name | 4,4-dimethyl-1,3-cyclohexanedione | ||
|---|---|---|---|---|
| CAS Number | 562-46-9 | Molecular Weight | 140.18000 | |
| Density | 1.016 g/cm3 | Boiling Point | 130ºC7 mm Hg(lit.),273.4ºC at 760 mmHg | |
| Molecular Formula | C8H12O2 | Melting Point | 103-105ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 85.1ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4,4-dimethyl-1,3-cyclohexanedione |
|---|---|
| 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 | 1.016 g/cm3 |
|---|---|
| Boiling Point | 130ºC7 mm Hg(lit.),273.4ºC at 760 mmHg |
| Melting Point | 103-105ºC(lit.) |
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.18000 |
| Flash Point | 85.1ºC |
| Exact Mass | 140.08400 |
| PSA | 34.14000 |
| LogP | 1.33470 |
| Index of Refraction | 1.452 |
| InChIKey | PLGPBTCNKJQJHQ-UHFFFAOYSA-N |
| SMILES | CC1(C)CCC(=O)CC1=O |
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.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| RIDADR | NONH for all modes of transport |
| HS Code | 2914299000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~50%
4,4-dimethyl-1,... CAS#:562-46-9 |
| Literature: Wyeth Patent: US2006/14826 A1, 2006 ; Location in patent: Page/Page column 14 ; |
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~86%
4,4-dimethyl-1,... CAS#:562-46-9 |
| Literature: Ishikawa, Teruhiko; Kadoya, Ryuichiro; Arai, Masaki; Takahashi, Haruka; Kaisi, Yumi; Mizuta, Tomohiro; Yoshikai, Kazusa; Saito, Seiki Journal of Organic Chemistry, 2001 , vol. 66, # 24 p. 8000 - 8009 |
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~99%
4,4-dimethyl-1,... CAS#:562-46-9 |
| Literature: Ishikawa, Teruhiko; Kadoya, Ryuichiro; Arai, Masaki; Takahashi, Haruka; Kaisi, Yumi; Mizuta, Tomohiro; Yoshikai, Kazusa; Saito, Seiki Journal of Organic Chemistry, 2001 , vol. 66, # 24 p. 8000 - 8009 |
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4,4-dimethyl-1,... CAS#:562-46-9 |
| Literature: Journal of Organic Chemistry USSR (English Translation), , vol. 2, p. 1771 - 1773 Zhurnal Organicheskoi Khimii, , vol. 2, p. 1801 - 1804 |
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4,4-dimethyl-1,... CAS#:562-46-9 |
| Literature: Canadian Journal of Chemistry, , vol. 42, p. 212 - 222 |
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4,4-dimethyl-1,... CAS#:562-46-9 |
| Literature: Canadian Journal of Chemistry, , vol. 42, p. 212 - 222 |
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4,4-dimethyl-1,... CAS#:562-46-9 |
| Literature: Canadian Journal of Chemistry, , vol. 42, p. 212 - 222 |
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4,4-dimethyl-1,... CAS#:562-46-9 |
| Literature: Journal of the Indian Chemical Society, , vol. 36, p. 299 |
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4,4-dimethyl-1,... CAS#:562-46-9 |
| Literature: Journal of Organic Chemistry USSR (English Translation), , vol. 1, p. 1018 - 1023 Zhurnal Organicheskoi Khimii, , vol. 1, # 6 p. 1010 - 1016 |
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 lists relevant public references with title, journal and publication metadata for this compound.
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4-aryl-6,6-dimethyl-1,2,3,4,5,6,7,8-octahydroquinazoline-2,5-diones: synthesis, chromatographic resolution and pharmacological activity.
Pharmazie 56(4) , 298-302, (2001) In this study, a series of 4-aryl-6,6-dimethyl-1,2,3,4,5,6,7,8- octahydroquinazoline-2,5-diones were synthesized by condensing urea with 4,4-dimethyl-1,3-cyclohexanedione and appropriate aromatic alde... |
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Thermochemical and theoretical studies on cyclohexanediones. Pilcher G, et al.
J. Phys. Chem. 97(1) , 243-47, (1993)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4,4-dimethylcyclohexane-1,3-dione |
| MFCD00075224 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 4,4-dimethyl-1,3-cyclohexanedione have? |
| A: English synonyms of 4,4-dimethyl-1,3-cyclohexanedione: 4,4-dimethylcyclohexane-1,3-dione, MFCD00075224. |
| Q: What is the molecular weight of 4,4-dimethyl-1,3-cyclohexanedione? |
| A: Molecular weight of 4,4-dimethyl-1,3-cyclohexanedione is 140.18000. |
| Q: What is the boiling point of 4,4-dimethyl-1,3-cyclohexanedione? |
| A: Boiling point of 4,4-dimethyl-1,3-cyclohexanedione is 130ºC7 mm Hg(lit.),273.4ºC at 760 mmHg. |
| Q: What is the English name of 4,4-dimethyl-1,3-cyclohexanedione? |
| A: The English name of 4,4-dimethyl-1,3-cyclohexanedione is 4,4-dimethyl-1,3-cyclohexanedione. |
| Q: What is the melting point of 4,4-dimethyl-1,3-cyclohexanedione? |
| A: Melting point of 4,4-dimethyl-1,3-cyclohexanedione is 103-105ºC(lit.). |
| Q: What is the CAS number of 4,4-dimethyl-1,3-cyclohexanedione? |
| A: CAS number of 4,4-dimethyl-1,3-cyclohexanedione is 562-46-9. |
| Q: What is the SMILES notation of 4,4-dimethyl-1,3-cyclohexanedione? |
| A: SMILES notation of 4,4-dimethyl-1,3-cyclohexanedione is CC1(C)CCC(=O)CC1=O. |
| Q: What is the polar surface area (PSA) of 4,4-dimethyl-1,3-cyclohexanedione? |
| A: Polar surface area (PSA) of 4,4-dimethyl-1,3-cyclohexanedione is 34.14000. |
| Q: What is the molecular formula of 4,4-dimethyl-1,3-cyclohexanedione? |
| A: Molecular formula of 4,4-dimethyl-1,3-cyclohexanedione is C8H12O2. |
| Q: What is the InChIKey of 4,4-dimethyl-1,3-cyclohexanedione? |
| A: InChIKey of 4,4-dimethyl-1,3-cyclohexanedione is PLGPBTCNKJQJHQ-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |