HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 136331Generated: November 5, 2026
Crocetane
hexadecane,2,6,11,15-tetramethyl- · Crocetane · 2,6,11,15-TETRAMETHYLHEXADECANE · Hexadecane,2,6,11,15-tetrymethyl- · 2,6,11,15-Tetramethylhexadecane in isooctane
https://huagongshe.com/en/chemical/136331
Identifiers & Physical Properties
| CAS No. | 504-44-9 |
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| Molecular formula | C20H42 |
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| Average molar mass | 282.5 g/mol |
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| Monoisotopic mass | 282.32865134 g/mol |
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| SMILES | CC(C)CCCC(C)CCCCC(C)CCCC(C)C |
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| InChIKey | KKFZXXATNGJPJS-UHFFFAOYSA-N |
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| PubChem CID | 136331 |
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| EC No. | 690-074-6 |
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| DTXSID | DTXSID80964656 |
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Chemical & Physical Properties
| XLogP | 9.9 |
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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 | 13 |
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| Heavy atoms | 20 |
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| Formal charge | 0 |
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| Complexity | 170 |
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| SpringerMaterials Properties | Density |
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| Boiling point | 171.8-172.6 °C(Press: 11 Torr) |
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| Density | 0.7853 g/cm3(Temp: 45 °C) |
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| EPA Substance Registry System | Hexadecane, 2,6,11,15-tetramethyl- (504-44-9) |
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Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Not Classified |
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