Introduction：Basic information about CAS 67102-87-8|Pentomone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pentomone |
|---|
| CAS Number | 67102-87-8 | Molecular Weight | 394.46000 |
|---|
| Density | 1.177g/cm3 | Boiling Point | 551.1ºC at 760 mmHg |
|---|
| Molecular Formula | C24H26O5 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 239.6ºC |
|---|
Names
| Name | 4,8-dimethoxy-6,6-dimethyl-5a,6a,12,12a,13a,14-hexahydrochromeno[3,2-b]xanthen-13-one |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.177g/cm3 |
|---|
| Boiling Point | 551.1ºC at 760 mmHg |
|---|
| Molecular Formula | C24H26O5 |
|---|
| Molecular Weight | 394.46000 |
|---|
| Flash Point | 239.6ºC |
|---|
| Exact Mass | 394.17800 |
|---|
| PSA | 53.99000 |
|---|
| LogP | 3.85230 |
|---|
| Index of Refraction | 1.559 |
|---|
| InChIKey | MTJTVTZUEKVNTG-YJEDKTMASA-N |
|---|
| SMILES | COc1cccc2c1OC1C(C2)C(=O)C2Cc3cccc(OC)c3OC2C1(C)C |
|---|
Synonyms
| (5aR,6aS,12aR,13aS)-4,8-dimethoxy-6,6-dimethyl-6,6a,12,12a,13a,14-hexahydro-5aH,13H-chromeno[3,2-b]xanthen-13-one |
| Pentomone (USAN/INN) |
