Identifiers & Physical Properties
| CAS No. | 103-29-7 |
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| Molecular formula | C14H14 |
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| Average molar mass | 182.26 g/mol |
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| Monoisotopic mass | 182.10955045 g/mol |
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| SMILES | c1ccc(CCc2ccccc2)cc1 |
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| InChIKey | QWUWMCYKGHVNAV-UHFFFAOYSA-N |
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| PubChem CID | 7647 |
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| ChEMBL | CHEMBL440895 |
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| ChEBI | CHEBI:34047 |
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| EC No. | 203-096-4 |
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| DTXSID | DTXSID8041668 |
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Chemical & Physical Properties
| XLogP | 4.8 |
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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 | 3 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 120 |
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| Density | 1.00 @25 °C |
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| Boiling point | 284 °C @760 [mm Hg]284°C |
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| Melting point | 52 °C52.5 °C |
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| Physical Description | LiquidSolid[Merck Index] White crystals, insoluble in water[MSDSonline] |
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| Kovats Retention Index | 1496.71509.315391494151614891511.414871508.81519.21524.315281546.315601541156315251526.7258.9260.1260.4260.13260.492070206920722061 |
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| Vapor density | 6.29 |
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| Flash point | 264°F |
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| Toxicity | Poison by intravenous route.Moderately toxic by intraperitoneal route. Combustible.To fight fire, use water, spray, mist, alcohol foam, drychemical. When heated to decomposition it emits acridsmoke and fumes |
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Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 46.2% (91 of 197) of reports.H413 (53.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 197 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 91 of 197 reports by companies.There is 1 notification provided by 106 of 197 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Regulatory information | Chemical: Benzene, 1,1'-(1,2-ethanediyl)bis-Benzene, 1,1'-(1,2-ethanediyl)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-(1,2-ethanediyl)bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 19-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21976Benzene, 1,1'-(1,2-ethanediyl)bis-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazards summary | A skin, eye, and respiratory tract irritant[MSDSonline] |
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| Hazard Classes and Categories | Aquatic Chronic 4 (53.8%) |
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| Protective Action Criteria (PAC) | 14 [mg/m3]150 [mg/m3]890 [mg/m3] |
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| Toxicity | Poison by intravenous route.Moderately toxic by intraperitoneal route. Combustible.To fight fire, use water, spray, mist, alcohol foam, drychemical. When heated to decomposition it emits acridsmoke and fumes |
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