Ethyl 2-cyano-3-methylvalerate (CHEM080529)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 20:03:16 UTC | ||||||||
| Update Date | 2026-08-25 13:15:22 UTC | ||||||||
| Accession Number | CHEM080529 | ||||||||
| Identification | |||||||||
| Common Name | Ethyl 2-cyano-3-methylvalerate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Ethyl 2-cyano-3-methylvalerate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This lipid and lipid-like molecule has the chemical formula C9H15NO2 and an average molecular weight of 169.22 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C9H15NO2 | ||||||||
| Average Molecular Mass | 169.224 g/mol | ||||||||
| Monoisotopic Mass | 169.110 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | ethyl 2-cyano-3-methylpentanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC(=O)C(C#N)C(C)CC | ||||||||
| InChI Identifier | InChI=1/C9H15NO2/c1-4-7(3)8(6-10)9(11)12-5-2/h7-8H,4-5H2,1-3H3 | ||||||||
| InChI Key | INPSAVANRKDAJY-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 | ||||||||
