Introduction：Basic information about CAS 172611-72-2|2-(1-Hydroxy-3-Methylbutylidene)-5,5-Dimethyl-1,3-Cyclohexanedione, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-(1-Hydroxy-3-Methylbutylidene)-5,5-Dimethyl-1,3-Cyclohexanedione |
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| CAS Number | 172611-72-2 | Molecular Weight | 224.296 |
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| Density | 1.065g/cm3 | Boiling Point | 330.227°C at 760 mmHg |
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| Molecular Formula | C13H20O3 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 167.724°C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 5,5-Dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.065g/cm3 |
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| Boiling Point | 330.227°C at 760 mmHg |
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| Molecular Formula | C13H20O3 |
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| Molecular Weight | 224.296 |
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| Flash Point | 167.724°C |
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| Exact Mass | 224.141251 |
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| PSA | 51.21000 |
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| LogP | 1.68 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.496 |
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| InChIKey | HNPWTDUZIXAJSA-UHFFFAOYSA-N |
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| SMILES | CC(C)CC(=O)C1C(=O)CC(C)(C)CC1=O |
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| Storage condition | 2-8°C |
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xi |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26 |
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| RIDADR | NONH for all modes of transport |
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| HS Code | 2914299000 |
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Customs
| HS Code | 2914299000 |
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| 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% |
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Articles1
More Articles
| S.R. Chhabra et al. Tetrahedron Lett. 39 , 1603, (1998)
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Synonyms
| 1,3-Cyclohexanedione, 5,5-dimethyl-2-(3-methyl-1-oxobutyl)- |
| 5,5-dimethyl-2-(3-methylbutanoyl)cyclohexane-1,3-dione |
| 5,5-Dimethyl-2-(3-methylbutanoyl)-1,3-cyclohexanedione |
| 2-(1-Hydroxy-3-Methylbutylidene)-5,5-Dimethyl-1,3-Cyclohexanedione |
| DMAB-OH |
