Barium 4-dodecylphenolate (CHEM113229)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 00:27:31 UTC | ||||||||
| Update Date | 2026-04-17 19:45:32 UTC | ||||||||
| Accession Number | CHEM113229 | ||||||||
| Identification | |||||||||
| Common Name | Barium 4-dodecylphenolate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Barium 4-dodecylphenolate belongs to the phenoxides, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C18H30O.1/2Ba. With an average molecular weight of 660.20 g/mol, Barium 4-dodecylphenolate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C18H30O.1/2Ba | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 660.349 g/mol | ||||||||
| CAS Registry Number | 93922-04-4 | ||||||||
| IUPAC Name | barium bis(4-dodecylphenolate) | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)[O-].[Ba+2] | ||||||||
| InChI Identifier | InChI=1/2C18H30O.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17;/h2*13-16,19H,2-12H2,1H3;/q;;+2/p-2 | ||||||||
| InChI Key | ALOLCXGUQMXLCJ-UHFFFAOYSA-L | ||||||||
| 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 | ||||||||
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| 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 | ||||||||
