Methyl 5-allyl-3-methoxysalicylate (CHEM076035)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 15:25:48 UTC | ||||||||
| Update Date | 2026-04-04 15:25:48 UTC | ||||||||
| Accession Number | CHEM076035 | ||||||||
| Identification | |||||||||
| Common Name | Methyl 5-allyl-3-methoxysalicylate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C12H14O4 | ||||||||
| Average Molecular Mass | 222.240 g/mol | ||||||||
| Monoisotopic Mass | 222.089 g/mol | ||||||||
| CAS Registry Number | 85614-43-3 | ||||||||
| IUPAC Name | methyl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC(=O)C1=C(O)C(OC)=CC(CC=C)=C1 | ||||||||
| InChI Identifier | InChI=1S/C12H14O4/c1-4-5-8-6-9(12(14)16-3)11(13)10(7-8)15-2/h4,6-7,13H,1,5H2,2-3H3 | ||||||||
| InChI Key | LYSUGZLJKRSLHM-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 | ||||||||
