HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 170813Generated: October 27, 2026
Benzaldehyde, 4-hexyl-
4-hexylbenzaldehyde · p-hexylbenzaldehyde · 4-n-Hexylbenzaldehyde · Benzaldehyde, 4-hexyl-
https://huagongshe.com/en/chemical/170813
Identifiers & Physical Properties
| CAS No. | 49763-69-1 |
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| Molecular formula | C13H18O |
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| Average molar mass | 190.28 g/mol |
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| Monoisotopic mass | 190.1357652 g/mol |
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| SMILES | CCCCCCc1ccc(C=O)cc1 |
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| InChIKey | KRNAJRBXIMJEFF-UHFFFAOYSA-N |
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| PubChem CID | 170813 |
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| EC No. | 256-479-3 |
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| DTXSID | DTXSID5068522 |
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Chemical & Physical Properties
| XLogP | 4.1 |
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| Topological polar surface area | 17.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 145 |
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| Melting point | -27 °C |
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| Boiling point | 118-119 °C(Press: 3 Torr) |
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| Density | 0.951±0.06 g/cm3(Predicted) |
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| LogP (partition coefficient) | 4.446 (est) |
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| EPA Substance Registry System | Benzaldehyde, 4-hexyl- (49763-69-1) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| TSCA inventory status | TSCA listed |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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