Methyl dehydroabietate
From Wikipedia, the free encyclopedia
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| Names | |
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| Preferred IUPAC name
Methyl (4β)-abieta-9(11),8(14),12-trien-18-oate | |
| Identifiers | |
3D model (JSmol) |
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| ChEBI | |
| ChEMBL | |
| ChemSpider | |
PubChem CID |
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| UNII | |
CompTox Dashboard (EPA) |
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| Properties | |
| C21H30O2 | |
| Molar mass | 314.46 g/mol |
| Appearance | White to off-white solid |
| Density | 1.017 g/cm3 |
| Boiling point | 390.2 °C (734.4 °F; 663.3 K) at 760 mmHg |
| Practically insoluble in water; soluble in organic solvents | |
| Hazards | |
| Occupational safety and health (OHS/OSH): | |
Main hazards |
Not extensively studied; handle with care |
| GHS labelling: | |
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| Warning | |
| H302, H315, H319, H335 | |
| P261, P305+P351+P338 | |
| Flash point | 184.3°C |
| Not available | |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Methyl dehydroabietate is a methyl ester derivative of dehydroabietic acid, a naturally occurring resin acid found in coniferous trees. It is characterized by a tricyclic diterpenoid structure and is commonly used in the synthesis of various chemical derivatives.
Methyl dehydroabietate has the molecular formula C21H30O2 and a molecular weight of 314.46 g/mol. It appears as a white to off-white solid with a boiling point of 390.2 °C at 760 mmHg and a flash point of 184.3 °C. The compound is practically insoluble in water but soluble in organic solvents such as ethanol and DMSO.[1]
Synthesis and derivatives
It can be synthesized through the esterification of dehydroabietic acid. Various derivatives have been developed for research purposes. For instance, chalcone and pyrazole derivatives have been synthesized and characterized using NMR, MS, and X-ray crystallography. These studies help in understanding the steric and electronic effects of substituents on the compound's biological activity.[2]