Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-endo,3-exo)- (CHEM062517)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 06:58:57 UTC | ||||||||
| Update Date | 2026-08-28 02:43:03 UTC | ||||||||
| Accession Number | CHEM062517 | ||||||||
| Identification | |||||||||
| Common Name | Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-endo,3-exo)- | ||||||||
| Class | Small Molecule | ||||||||
| Description | Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-endo,3-exo)- belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This organic compound has the chemical formula C13H20O2 and an average molecular weight of 208.30 g/mol. It is classified within the superclass of organic acids and derivatives. In industrial applications, the compound is used as a fragrance. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H20O2 | ||||||||
| Average Molecular Mass | 208.301 g/mol | ||||||||
| Monoisotopic Mass | 208.146 g/mol | ||||||||
| CAS Registry Number | 116044-44-1 | ||||||||
| IUPAC Name | ethyl (1S,2S,3S,4R)-2-propan-2-ylbicyclo[2.2.1]hept-5-ene-3-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC(=O)[C@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1C(C)C | ||||||||
| InChI Identifier | InChI=1S/C13H20O2/c1-4-15-13(14)12-10-6-5-9(7-10)11(12)8(2)3/h5-6,8-12H,4,7H2,1-3H3/t9-,10+,11+,12+/m1/s1 | ||||||||
| InChI Key | HJEFAEQTNTXLHL-RHYQMDGZSA-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 | ||||||||
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| Predicted Properties | Not Available | ||||||||
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| 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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
