Isobutyl 3-thienylacetate (CHEM076747)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 16:38:06 UTC | ||||||||
| Update Date | 2026-04-04 16:38:06 UTC | ||||||||
| Accession Number | CHEM076747 | ||||||||
| Identification | |||||||||
| Common Name | Isobutyl 3-thienylacetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Isobutyl 3-thienylacetate belongs to the heteroaromatic compounds, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C10H14O2S1 and an average molecular weight of 198.28 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C10H14O2S1 | ||||||||
| Average Molecular Mass | 198.280 g/mol | ||||||||
| Monoisotopic Mass | 198.071 g/mol | ||||||||
| CAS Registry Number | 94023-53-7 | ||||||||
| IUPAC Name | 2-methylpropyl 2-thiophen-3-ylacetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)COC(=O)CC1=CSC=C1 | ||||||||
| InChI Identifier | InChI=1S/C10H14O2S/c1-8(2)6-12-10(11)5-9-3-4-13-7-9/h3-4,7-8H,5-6H2,1-2H3 | ||||||||
| InChI Key | DEPSFIADZHYHQA-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 | ||||||||
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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 | ||||||||
