1-Phenylethyl acetoacetate (CHEM091976)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 03:56:18 UTC | ||||||||
| Update Date | 2026-08-18 17:57:13 UTC | ||||||||
| Accession Number | CHEM091976 | ||||||||
| Identification | |||||||||
| Common Name | 1-Phenylethyl acetoacetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | 1-Phenylethyl acetoacetate belongs to the benzyloxycarbonyls, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C12H14O3 and an average molecular weight of 206.24 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C12H14O3 | ||||||||
| Average Molecular Mass | 206.241 g/mol | ||||||||
| Monoisotopic Mass | 206.094 g/mol | ||||||||
| CAS Registry Number | 40552-84-9 | ||||||||
| IUPAC Name | 1-phenylethyl 3-oxobutanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(OC(=O)CC(C)=O)C1=CC=CC=C1 | ||||||||
| InChI Identifier | InChI=1/C12H14O3/c1-9(13)8-12(14)15-10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3 | ||||||||
| InChI Key | GSBJXOIVIOYPOW-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
