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CAS NO.700-12-9
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| Pentamethylbenzene Basic information |
| Product Name: | Pentamethylbenzene |
| Synonyms: | Benzene, 1,2,3,4,5-pentamethyl-;benzene,pentamethyl-;pentamethyl-benzen;1,2,3,4,5-PENTAMETHYLBENZENE;Pentamethyl phenyl;PENTAMETHYLBENZENE;Pentmethyl Benzene;Pentamethylbenzene~95% |
| CAS: | 700-12-9 |
| MF: | C11H16 |
| MW: | 148.24 |
| EINECS: | 211-837-8 |
| Product Categories: | Arenes;Building Blocks;Organic Building Blocks;Building Blocks;Chemical Synthesis;Organic Building Blocks |
| Mol File: | 700-12-9.mol |
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| Pentamethylbenzene Chemical Properties |
| mp | 49-51 °C(lit.) |
| bp | 231 °C(lit.) |
| density | 0.917 g/mL at 25 °C(lit.) |
| Fp | 196 °F |
| BRN | 1905349 |
| CAS DataBase Reference | 700-12-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, pentamethyl-(700-12-9) |
| EPA Substance Registry System | Benzene, pentamethyl-(700-12-9) |
| Safety Information |
| Hazard Codes | F,Xi |
| Risk Statements | 11-36/37/38 |
| Safety Statements | 16-26-36 |
| RIDADR | UN 1325 4.1/PG 2 |
| WGK Germany | 3 |
| HazardClass | 4.1 |
| PackingGroup | III |
| Molecular Weight | 148.24474 g/mol |
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| Molecular Formula | C11H16 |
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 148.125201 g/mol |
| Monoisotopic Mass | 148.125201 g/mol |
| Topological Polar Surface Area | 0 A^2 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 114 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |