3-(3,4,5-Trimethoxy benzylidene)-2,4-pentanedione (CHEM056222)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-26 19:41:10 UTC | ||||||||
| Update Date | 2026-08-28 13:22:00 UTC | ||||||||
| Accession Number | CHEM056222 | ||||||||
| Identification | |||||||||
| Common Name | 3-(3,4,5-Trimethoxy benzylidene)-2,4-pentanedione | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-(3,4,5-Trimethoxy benzylidene)-2,4-pentanedione is an organic compound with the formula C15H18O5 and an average molecular weight of 278.30 g/mol. 3-(3,4,5-Trimethoxy benzylidene)-2,4-pentanedione belongs to the anisoles, a subclass of phenol ethers within the organic compounds. It is further classified under the superclass of benzenoids. In industrial applications, this compound serves several roles, functioning as an antioxidant, a humectant, and a chelating agent. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C15H18O5 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 278.115 g/mol | ||||||||
| CAS Registry Number | 945558-97-4 | ||||||||
| IUPAC Name | 3-[(3,4,5-trimethoxyphenyl)methylidene]pentane-2,4-dione | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=O)C(=CC1=CC(=C(C(=C1)OC)OC)OC)C(=O)C | ||||||||
| InChI Identifier | InChI=1S/C15H18O5/c1-9(16)12(10(2)17)6-11-7-13(18-3)15(20-5)14(8-11)19-4/h6-8H,1-5H3 | ||||||||
| InChI Key | ATNSJLDBJQDEBF-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Benzenoids | ||||||||
| Class | Phenol ethers | ||||||||
| Sub Class | Anisoles | ||||||||
| Direct Parent | Anisoles | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aromatic homomonocyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| 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 | |||||||||
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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 67772502 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
