HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5320249Generated: October 28, 2026
alpha-Ocimene
trans-Ocimene · (3E)-3,7-Dimethyl-1,3,7-octatriene · 1,3,7-Octatriene, 3,7-dimethyl-, (3E)-
https://huagongshe.com/en/chemical/5320249
Identifiers & Physical Properties
| CAS No. | 502-99-8 |
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| Molecular formula | C10H16 |
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| Average molar mass | 136.23 g/mol |
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| Monoisotopic mass | 136.12520051 g/mol |
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| SMILES | C=C/C(C)=C/CCC(=C)C |
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| InChIKey | XJPBRODHZKDRCB-CSKARUKUSA-N |
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| PubChem CID | 5320249 |
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| EC No. | 207-957-5 |
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| DTXSID | DTXSID001042902 |
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Chemical & Physical Properties
| XLogP | 4.3 |
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| Topological polar surface area | 0 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 0 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 149 |
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| Lipids | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
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| Boiling point | 170.2±10.0 °C(Predicted) |
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| Density | 0.769±0.06 g/cm3(Predicted) |
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| FDA UNII | 8DBO41SLJL |
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Safety & Regulations
| Regulatory information | Chemical: 1,3,7-Octatriene, 3,7-dimethyl- |
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