![4-TERT-BUTYLCALIX[8]ARENE structure, CAS 68971-82-4](/structures/210000/188040_1_68971_82_4.png)
CAS Number68971-82-4
Synonymspara-tert-butylcalix[8]arene; MFCD00075392; 5,11,17,23,29,35,41,47-octa-tert-butyl-49,50,51,52,53,54,55,56-octahydroxy-calix[8]arene; 4-t-Butylcalix[8]arene; 5,11,17,23,29,35,41,47-octakis(1,1-dimethylethyl)-49,50,51,52,53,54,55,56-octahydroxycalix[8]arene; 5,11,17,23,29,35,41,47-octakis(tert-butyl)-49,50,51,52,53,54,55,56-octakis(hydroxy)calix[8]arene; p-tBu-calix[8]arene
Molecular FormulaC88H112O8
Molecular Weight648.91
Density1.1±0.1 g/cm3
Melting Point411-412ºC(lit.)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 68971-82-4 |
| Catalog No. | 2A-3186714 |
| Chinese Name | 4-叔丁基杯[8]芳烃 |
| Synonyms | para-tert-butylcalix[8]arene; MFCD00075392; 5,11,17,23,29,35,41,47-octa-tert-butyl-49,50,51,52,53,54,55,56-octahydroxy-calix[8]arene; 4-t-Butylcalix[8]arene; 5,11,17,23,29,35,41,47-octakis(1,1-dimethylethyl)-49,50,51,52,53,54,55,56-octahydroxycalix[8]arene; 5,11,17,23,29,35,41,47-octakis(tert-butyl)-49,50,51,52,53,54,55,56-octakis(hydroxy)calix[8]arene; p-tBu-calix[8]arene |
| Molecular Formula | C88H112O8 |
| Molecular Weight | 648.91 |
| Density | 1.1±0.1 g/cm3 |
| Melting Point | 411-412ºC(lit.) |
| Storage Condition | Store in an airtight container in a cool, dry plac |
| PubChem ID | 24861509 |
| MDL Number | MFCD00066280 |
| SMILES | CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2 |
| InChI | InChI=1S/C88H112O8/c1-81(2,3)65-33-49-25-51-35-66(82(4,5)6)37-53(74(51)90)27-55-39-68(84(10,11)12)41-57(76(55)92)29-59-43-70(86(16,17)18)45-61(78(59)94)31-63-47-72(88(22,23)24)48-64(80(63)96)32-62-46-71(87(19,20)21)44-60(79(62)95)30-58-42-69(85(13,14)15)40-56(77(58)93)28-54-38-67(83(7,8)9)36-52(75(54)91)26-50(34-65)73(49)89/h33-48,89-96H,25-32H2,1-24H3 |
| InChI Key | OLZFZIXORGGLLS-UHFFFAOYSA-N |
| Beilstein/REAXYS | 2033965 |
| NACRES Code | NA.23 |
| UNSPSC | 12162002 |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified 4-tert-Butylcalix[8]arene Modification number: 5 |
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