HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5367525Generated: November 3, 2026
1,4-Hexadiene, 4-methyl-, cis-
4-methyl-1,4-hexadien · 4-Methyl-1,4-hexadiene · 1,4-Hexadiene, 4-methyl- · (Z,E)-4-methylhexa-1,4-diene
https://huagongshe.com/en/chemical/5367525
Identifiers & Physical Properties
| CAS No. | 1116-90-1 |
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| Molecular formula | C7H12 |
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| Average molar mass | 96.17 g/mol |
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| Monoisotopic mass | 96.09390038 g/mol |
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| SMILES | C=CC/C(C)=C/C |
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| InChIKey | JBVMSEMQJGGOFR-FNORWQNLSA-N |
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| PubChem CID | 5367525 |
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| DTXSID | DTXSID301009377 |
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Chemical & Physical Properties
| XLogP | 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 | 2 |
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| Heavy atoms | 7 |
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| Formal charge | 0 |
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| Complexity | 78 |
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| Chemical classes | Other Classes -> Aliphatics, Unsaturated |
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| SpringerMaterials Properties | Density |
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| Boiling point | 91-93 °C |
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| Density | 0.725±0.06 g/cm3(Predicted) |
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Safety & Regulations
| Hazards summary | See 1,4-Hexadiene. |
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| Adverse effects | Neurotoxin - Acute solvent syndrome |
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