HuagongsheHuagongshe Chemistry Print Report · For research reference only
9,9-Dimethylxanthene
9,9-DIMETHYLXANTHENE · CL159 · LABOTEST-BB LT00160133 · 9,9-Dimethylxanthene>9,9-DIMETHYL-9H-XANTHENE · 9,9-Dimethylxanthene 96% · 9H-Xanthene, 9,9-dimethyl- · 9,9-Dimethylxanthene, 98+% · 9,9-Dimethylxanthene, 97.5%
Identifiers & Physical Properties
| CAS No. | 19814-75-6 |
|---|---|
| Molecular formula | C15H14O |
| Average molar mass | 210.27 g/mol |
| Monoisotopic mass | 210.10446507 g/mol |
| SMILES | CC1(C)c2ccccc2Oc2ccccc21 |
| InChIKey | MTVNAPYHLASOSX-UHFFFAOYSA-N |
| PubChem CID | 606997 |
| EC No. | 803-050-9 |
| DTXSID | DTXSID00345781 |
Chemical & Physical Properties
| XLogP | 4.3 |
|---|---|
| Topological polar surface area | 9.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 234 |
| Melting point | 35-38 °C (lit.) |
| Boiling point | 114-115 °C/0.6 mmHg (lit.) |
| Density | 1.0232 (rough estimate) |
| Refractive index | 1.5725 (estimate) |
| Flash point | >230 °F |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | powder to lump to clear liquid |
| Color | White or Colorless to Yellow to Green |
| Solubility | Insoluble in water. |
| InChI | InChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3 |
| InChIKey | MTVNAPYHLASOSX-UHFFFAOYSA-N |
| SMILES | C1(C)(C)C2=C(C=CC=C2)OC2=C1C=CC=C2 |
| CAS DataBase Reference | 19814-75-6 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H312-H332 |
| GHS precautionary statements | P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501 |
| Hazard symbols | Xi |
| Risk statements (R) | 43 |
| Safety statements (S) | 36/37-24/25 |
| Water hazard class (WGK) | 3 |
| Customs code | 29329990 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 100% (39 of 39) of all reports.Not ClassifiedAggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Water hazard class (WGK) | 3 |
| Customs code | 29329990 |
| Risk statements (R) | 43 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 36/37-24/25 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H312-H332 |
| GHS precautionary statements | P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501 |
Applications & Uses
Uses
9,9-Dimethylxanthene is suitable for use in the preparation of 9,9-dimethylxanthene-4,5-dicarboxylic acid. It may be used in the preparation of 9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene. It may be used in the preparation of 4,6-bis(dimesitylboryl)dibenzofuran.
General Description
9,9-Dimethylxanthene is a heterocyclic building block.