Benzenepropanoic acid, 3,5-dimethoxy-.beta.-oxo-4-(phenylmethoxy)-, phenylmethyl ester (CHEM073808)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 11:04:50 UTC | ||||||||
| Update Date | 2026-08-31 02:40:31 UTC | ||||||||
| Accession Number | CHEM073808 | ||||||||
| Identification | |||||||||
| Common Name | Benzenepropanoic acid, 3,5-dimethoxy-.beta.-oxo-4-(phenylmethoxy)-, phenylmethyl ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | Benzenepropanoic acid, 3,5-dimethoxy-.beta.-oxo-4-(phenylmethoxy)-, phenylmethyl ester belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C25H24O6 and an average molecular weight of 420.46 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C25H24O6 | ||||||||
| Average Molecular Mass | 420.461 g/mol | ||||||||
| Monoisotopic Mass | 420.157 g/mol | ||||||||
| CAS Registry Number | 67827-52-5 | ||||||||
| IUPAC Name | benzyl 3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-3-oxopropanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=CC(=CC(OC)=C1OCC1=CC=CC=C1)C(=O)CC(=O)OCC1=CC=CC=C1 | ||||||||
| InChI Identifier | InChI=1S/C25H24O6/c1-28-22-13-20(21(26)15-24(27)30-16-18-9-5-3-6-10-18)14-23(29-2)25(22)31-17-19-11-7-4-8-12-19/h3-14H,15-17H2,1-2H3 | ||||||||
| InChI Key | MZDVSWNINTYWCE-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
