Benzoic acid, 4-butyl-, 2-methyl-1,4-phenylene ester (CHEM073456)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 10:08:02 UTC | ||||||||
| Update Date | 2026-04-04 10:08:02 UTC | ||||||||
| Accession Number | CHEM073456 | ||||||||
| Identification | |||||||||
| Common Name | Benzoic acid, 4-butyl-, 2-methyl-1,4-phenylene ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C29H32O4 | ||||||||
| Average Molecular Mass | 444.571 g/mol | ||||||||
| Monoisotopic Mass | 444.230 g/mol | ||||||||
| CAS Registry Number | 64835-62-7 | ||||||||
| IUPAC Name | [4-(4-butylbenzoyl)oxy-3-methylphenyl] 4-butylbenzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCC1=CC=C(C=C1)C(=O)OC1=CC(C)=C(OC(=O)C2=CC=C(CCCC)C=C2)C=C1 | ||||||||
| InChI Identifier | InChI=1S/C29H32O4/c1-4-6-8-22-10-14-24(15-11-22)28(30)32-26-18-19-27(21(3)20-26)33-29(31)25-16-12-23(13-17-25)9-7-5-2/h10-20H,4-9H2,1-3H3 | ||||||||
| InChI Key | NYWMWXDEVFKTJK-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 |
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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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
