CAS Number20577-73-5
Synonyms2,4-dioxo-4-phenyl-butyric acid methyl ester; methyl 2,4-dioxo-4-phenyl-2-butenoate; methyl 2,4-dioxo-4-phenyl butanoate; methyldioxophenylbutanoate; methyl 4-phenyl-2,4-dioxo-butanoate; METHYL 2,4-DIOXO-4-PHENYLBUTANOATE; Benzenebutanoic acid, α,γ-dioxo-, methyl ester
Molecular FormulaC11H10O4
Molecular Weight206.2
Density1.2±0.1 g/cm3
Boiling Point335.6±25.0 °C at 760 mmHg
Melting Point59-60ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 20577-73-5 |
| Catalog No. | 2A-9086017 |
| Chinese Name | 2,4-二氧代-4-苯基丁酸甲酯 |
| Synonyms | 2,4-dioxo-4-phenyl-butyric acid methyl ester; methyl 2,4-dioxo-4-phenyl-2-butenoate; methyl 2,4-dioxo-4-phenyl butanoate; methyldioxophenylbutanoate; methyl 4-phenyl-2,4-dioxo-butanoate; METHYL 2,4-DIOXO-4-PHENYLBUTANOATE; Benzenebutanoic acid, α,γ-dioxo-, methyl ester |
| Molecular Formula | C11H10O4 |
| Molecular Weight | 206.2 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 335.6±25.0 °C at 760 mmHg |
| Melting Point | 59-60ºC |
| Storage Condition | Room temperature, dry, sealed |
| HTC | 2918300090 |
| MDL Number | MFCD00225528 |
| SMILES | COC(=O)C(=O)CC(=O)c1ccccc1 |
| InChI | InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChI Key | AQYAHPDSJAFBOS-UHFFFAOYSA-N |
| MSDS | msds/86017_1_20577_73_5.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C11H10O4 Molecular weight:206.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information Hazard Codes Xi HS Code 2918300090 Synthetic Route Dimethyl oxalate CAS#:553-90-2 Acetophenone CAS#:98-86-2 METHYL 2,4-DIOX... CAS#:20577-73-5 Literature: Penning, Thomas D.; Talley, John J.; Bertenshaw, Stephen R.; Carter, Jeffery S.; Collins, Paul W.; Docter, Stephen; Graneto, Matthew J.; Lee, Len F.; Malecha, James W.; Miyashiro, Julie M.; Rogers, Roland S.; Rogier; Yu, Stella S.; Anderson, Gary D.; Burton, Earl G.; Cogburn, J. Nita; Gregory, Susan A.; Koboldt, Carol M.; Perkins, William E.; Seibert, Karen; Veenhuizen, Amy W.; Zhang, Yan Y.; Isakson, Peter C. Journal of Medicinal Chemistry, 1997 , vol. 40, # 9 p. 1347 - 1365 Dimethyl oxalate CAS#:553-90-2 2-Acetylthiophene CAS#:88-15-3 METHYL 2,4-DIOX... CAS#:20577-73-5 Literature: Veeraswamy; Kurumurthy; Santhosh Kumar; Sambasiva Rao; Thelakkat, Kavya; Kotamraju, Srigiridhar; Narsaiah Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2012 , vol. 51, # 9 p. 1369 - 1375 5-phenyl-2-meth... CAS#:56795-82-5 METHYL 2,4-DIOX... CAS#:20577-73-5 Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 6 p. 1479 - 1484 Precursor & DownStream Precursor 5 CAS#:553-90-2 Dimethyl oxalate CAS#:98-86-2 Acetophenone CAS#:88-15-3 2-Acetylthiophene CAS#:56795-82-5 5-phenyl-2-meth... DownStream 10 CAS#:5071-61-4 5-Phenyl-1H-pyr... CAS#:51677-09-9 Methyl 5-phenyl... CAS#:23088-52-0 5-PHENYL-3-ISOX... CAS#:59985-82-9 5-Phenylisoxazo... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: 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% |
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