1,1'-{Propane-2,2-diylbis[(4,1-phenylene)oxy]}bis(3-chloropropan-2-ol) (CHEM057006)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-27 01:46:39 UTC | ||||||||
| Update Date | 2026-08-21 19:16:55 UTC | ||||||||
| Accession Number | CHEM057006 | ||||||||
| Identification | |||||||||
| Common Name | 1,1'-{Propane-2,2-diylbis[(4,1-phenylene)oxy]}bis(3-chloropropan-2-ol) | ||||||||
| Class | Small Molecule | ||||||||
| Description | 1,1'-{Propane-2,2-diylbis[(4,1-phenylene)oxy]}bis(3-chloropropan-2-ol) belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This organic compound has the formula C21H26Cl2O4 and an average molecular weight of 413.34 g/mol. It is associated with a single recorded source: food, food processing and cookware, specifically food contact materials. Potential exposure routes for this substance include inhalation, oral intake, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H26Cl2O4 | ||||||||
| Average Molecular Mass | 413.340 g/mol | ||||||||
| Monoisotopic Mass | 412.121 g/mol | ||||||||
| CAS Registry Number | 4809-35-2 | ||||||||
| IUPAC Name | 1-chloro-3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)(C1=CC=C(C=C1)OCC(CCl)O)C2=CC=C(C=C2)OCC(CCl)O | ||||||||
| InChI Identifier | InChI=1S/C21H26Cl2O4/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,24-25H,11-14H2,1-2H3 | ||||||||
| InChI Key | PTCFDJRJOGPUFE-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
