Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=CC(=CC(=C1O)C(C)(C)C)CCCOP2OC3=C(C=C(C=C3C(C)(C)C)C(C)(C)C)C4=C(O2)C(=CC(=C4)C(C)(C)C)C(C)(C)C |
|---|---|
| InChIKey | MSXXDBCLAKQJQT-UHFFFAOYSA-N |
| INCHI | 1S/C42H61O4P/c1-26-20-27(21-32(35(26)43)40(8,9)10)18-17-19-44-47-45-36-30(22-28(38(2,3)4)24-33(36)41(11,12)13)31-23-29(39(5,6)7)25-34(37(31)46-47)42(14,15)16/h20-25,43H,17-19H2,1-16H3 |
| Isómeros SMILES | CC1=CC(=CC(=C1O)C(C)(C)C)CCCOP2OC3=C(C=C(C=C3C(C)(C)C)C(C)(C)C)C4=C(O2)C(=CC(=C4)C(C)(C)C)C(C)(C)C |
| Peso molecular | 673.0004 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Ortho cresols Toluenes Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpropane - O-cresol - Toluene - Phenol - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| External Descriptors | Not available |
| Punto de ebullición (°C) | 655.2±55.0°C(Predicted) |
|---|---|
| Peso molecular | 660.900 g/mol |
| XLogP3 | 14.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 10 |
| Exact Mass | 660.431 Da |
| Monoisotopic Mass | 660.431 Da |
| Topological Polar Surface Area | 55.700 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 950.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |