HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 14921Generated: October 27, 2026
1-(3,5-Dimethylphenyl)ethan-1-one
1-(dimethylphenyl)ethan-1-one
https://huagongshe.com/en/chemical/14921
Identifiers & Physical Properties
| CAS No. | 1335-42-8 |
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| Molecular formula | C10H12O |
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| Average molar mass | 148.2 g/mol |
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| Monoisotopic mass | 148.088815 g/mol |
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| SMILES | CC(=O)c1cc(C)cc(C)c1 |
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| InChIKey | BKIHFZLJJUNKMZ-UHFFFAOYSA-N |
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| PubChem CID | 14921 |
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| ChEMBL | CHEMBL558696 |
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| EC No. | 215-632-4 |
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| DTXSID | DTXSID80928152 |
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Chemical & Physical Properties
| XLogP | 2.4 |
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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 | 1 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 141 |
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| Cosmetics Ingredients Functions | PERFUMING |
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| LogP (partition coefficient) | 1.914 (est) |
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| EPA Substance Registry System | Ethanone, 1-(dimethylphenyl)- (1335-42-8) |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| GHS classification | WarningH227 (50%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatory information | Chemical: Ethanone, 1-(dimethylphenyl)- |
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| Hazard Classes and Categories | Flam. Liq. 4 (50%) |
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| TSCA inventory status | TSCA listed |
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