2-Butenoic acid, [1,1'-bicyclopentyl]-2-yl ester (CHEM058056)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-31 21:34:08 UTC | ||||||||
| Update Date | 2026-08-19 07:27:36 UTC | ||||||||
| Accession Number | CHEM058056 | ||||||||
| Identification | |||||||||
| Common Name | 2-Butenoic acid, [1,1'-bicyclopentyl]-2-yl ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-Butenoic acid, [1,1'-bicyclopentyl]-2-yl ester is an organic compound with the formula C14H22O2 and an average molecular weight of 222.33 g/mol. 2-Butenoic acid, [1,1'-bicyclopentyl]-2-yl ester belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. Industrially, this substance is utilized as a fragrance. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C14H22O2 | ||||||||
| Average Molecular Mass | 222.328 g/mol | ||||||||
| Monoisotopic Mass | 222.162 g/mol | ||||||||
| CAS Registry Number | 68039-73-6 | ||||||||
| IUPAC Name | (2-cyclopentylcyclopentyl) (E)-but-2-enoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC=CC(=O)OC1CCCC1C1CCCC1 | ||||||||
| InChI Identifier | InChI=1S/C14H22O2/c1-2-6-14(15)16-13-10-5-9-12(13)11-7-3-4-8-11/h2,6,11-13H,3-5,7-10H2,1H3 | ||||||||
| InChI Key | IBCFURUUOKXNFW-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 | 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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
