HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 76996Generated: October 27, 2026
1,2-Bis(4-methylphenyl)-1,2-ethanedione
p-Tolil · NSC 22505 · 4,4’-Dimethylbenzil · 4,4'-Dimethylbenzil · di-p-tolylethanedione · 4,4'-DIMETHYLDIBENZOYL · LABOTEST-BB LT00159323 · 4,4'-Dimethylbenzil>4,4 '- dimethylbenzoyl
https://huagongshe.com/en/chemical/76996
Identifiers & Physical Properties
| CAS No. | 3457-48-5 |
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| Molecular formula | C16H14O2 |
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| Average molar mass | 238.28 g/mol |
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| Monoisotopic mass | 238.09937969 g/mol |
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| SMILES | Cc1ccc(C(=O)C(=O)c2ccc(C)cc2)cc1 |
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| InChIKey | BCWCEHMHCDCJAD-UHFFFAOYSA-N |
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| PubChem CID | 76996 |
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| ChEMBL | CHEMBL192625 |
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| EC No. | 222-388-2 |
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| DTXSID | DTXSID60188116 |
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Chemical & Physical Properties
| XLogP | 4.1 |
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| Topological polar surface area | 34.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 18 |
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| Formal charge | 0 |
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| Complexity | 273 |
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| SpringerMaterials Properties | Chemical shift |
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| Melting point | 102-104 °C(lit.) |
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| Boiling point | 211 °C (7 mmHg) |
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| Density | 1.119±0.06 g/cm3 (20 ºC 760 Torr) |
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| Refractive index | 1.6290 (estimate) |
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| Storage conditions | Sealed in dry,Room Temperature |
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| Physical state | solid |
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| Appearance | Off-white to light yellow Solid |
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| InChI | InChI=1S/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3 |
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| InChIKey | BCWCEHMHCDCJAD-UHFFFAOYSA-N |
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| SMILES | C(C1=CC=C(C)C=C1)(=O)C(C1=CC=C(C)C=C1)=O |
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| CAS DataBase Reference | 3457-48-5(CAS DataBase Reference) |
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| FDA UNII | 4HZ2Y7K8GZ |
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| UNSPSC Code | 12162002 |
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| NACRES | NA.23 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
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| Hazard symbols | Xi |
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| Risk statements (R) | 36/37/38 |
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| Safety statements (S) | 24/25-36/37-26 |
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| Water hazard class (WGK) | 3 |
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| Customs code | 29143990 |
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| Storage class | 11 - Combustible Solids |
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Safety & Regulations
| GHS classification | Not Classified |
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| Hazard Classes and Categories | Not Classified |
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| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
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| Water hazard class (WGK) | 3 |
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| Customs code | 29143990 |
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| Risk statements (R) | 36/37/38 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xi |
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| Safety statements (S) | 24/25-36/37-26 |
|---|
| Storage class | 11 - Combustible Solids |
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| GHS hazard statements | H315-H319-H335 |
|---|
| GHS precautionary statements | P261-P305+P351+P338 |
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