| Chemical & Physical Properties | |
|---|---|
| CAS Number | 39207-65-3 |
| Catalog No. | 2A-9073130 |
| Chinese Name | 2-异丁酰环己酮 |
| Synonyms | 2-Isobutyrylcyclohexanone; MFCD00466185; 2-(2-methylpropanoyl)cyclohexan-1-one |
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.23 |
| Purity | 96 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 265.9±23.0 °C at 760 mmHg |
| Melting Point | 38°C |
| Appearance | liquid |
| Storage Condition | Sealed in a cool, dry environment |
| HTC | 2914299000 |
| PubChem ID | 329760504 |
| MDL Number | MFCD00466185 |
| SMILES | CC(C)C(=O)C1CCCCC1=O |
| InChI | 1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3 |
| InChI Key | PFOYYSGBGILOQZ-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352300 |
| MSDS | msds/73130_1_39207_65_3.pdf |
| Use of | Respirator: Ventilation:Handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:colorless liquid Vapor Pressure:no data Specific Gravity:no data Odor:not determined Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air and moisture stable Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:oxidizing agents Decomposition Products:carbon monoxide, carbon dioxide, organic fumes SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:no data Mutagenic Effects:no data Tetratogenic Effects:no data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to local, state and federal regulations. SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Not listed in the TSCA inventory SARA (Title 313):Title compound not listed Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION Safety Information Signal Word Warning Hazard Statements H302-H319 Precautionary Statements P305 + P351 + P338 Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter Hazard Codes Xn Risk Phrases R22;R36 Safety Phrases S26 RIDADR NONH for all modes of transport HS Code 2914299000 Synthetic Route Cyclohexanone CAS#:108-94-1 2-Methylpropano... CAS#:79-30-1 2-Isobutyrylcyc... CAS#:39207-65-3 Literature: Corr, Michael J.; Roydhouse, Mark D.; Gibson, Kirsty F.; Zhou, Sheng-Ze; Kennedy, Alan R.; Murphy, John A. Journal of the American Chemical Society, 2009 , vol. 131, # 49 p. 17980 - 17985 Methyl isobutyrate CAS#:547-63-7 Cyclohexanone CAS#:108-94-1 2-Isobutyrylcyc... CAS#:39207-65-3 Literature: Shafir, Alexandr; Buchwald, Stephen L. Journal of the American Chemical Society, 2006 , vol. 128, # 27 p. 8742 - 8743 1-Morpholino-1-... CAS#:670-80-4 2-Methylpropano... CAS#:79-30-1 2-Isobutyrylcyc... CAS#:39207-65-3 Literature: Murray, Ewan J.; Crowley, Rebecca C.; Truman, Alex; Clarke, Simon R.; Cottam, James A.; Jadhav, Gopal P.; Steele, Victoria R.; O'Shea, Paul; Lindholm, Catharina; Cockayne, Alan; Chhabra, Siri Ram; Chan, Weng C.; Williams, Paul Journal of Medicinal Chemistry, 2014 , vol. 57, # 6 p. 2813 - 2819 Precursor & DownStream Precursor 4 CAS#:108-94-1 Cyclohexanone CAS#:79-30-1 2-Methylpropano... CAS#:547-63-7 Methyl isobutyrate CAS#:670-80-4 1-Morpholino-1-... DownStream 5 CAS#:5963-14-4 UNII:LW5786QCKT CAS#:55277-54-8 8-methyl-7-oxon... CAS#:103-48-0 Phenethyl isobu... CAS#:75379-01-0 2H-Indazole, 3-... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 5.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2914299000. other cyclanic, cyclenic or cyclootherpenic 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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