HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 106941Generated: November 2, 2026
Butanoic acid, 2-methyl-, 3-phenyl-2-propen-1-yl ester
Einecs 267-552-4 · Cinnamyl 2-methylbutyrate · 3-phenylallyl 2-methylbutyrate · Butanoic acid, 2-methyl-, 3-phenyl-2-propenyl ester · Butanoic acid, 2-methyl-, 3-phenyl-2-propen-1-yl ester
https://huagongshe.com/en/chemical/106941
Identifiers & Physical Properties
| CAS No. | 67883-77-6 |
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| Molecular formula | C14H18O2 |
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| Average molar mass | 218.29 g/mol |
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| Monoisotopic mass | 218.13067981 g/mol |
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| SMILES | CCC(C)C(=O)OCC=Cc1ccccc1 |
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| InChIKey | OQFRRXKRZQFDEI-UHFFFAOYSA-N |
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| PubChem CID | 106941 |
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| DTXSID | DTXSID20887012 |
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Chemical & Physical Properties
| XLogP | 3.7 |
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| Topological polar surface area | 26.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 16 |
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| Formal charge | 0 |
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| Complexity | 227 |
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| Boiling point | 323.0±21.0 °C(Predicted) |
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| Density | 1.006±0.06 g/cm3(Predicted) |
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| LogP (partition coefficient) | 4.028 (est) |
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| EPA Substance Registry System | Cinnamyl 2-methylbutyrate (67883-77-6) |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| TSCA inventory status | TSCA listed |
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