3-(4-Methylcyclohex-3-enyl)but-3-enyl acetate (CHEM058467)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-31 22:33:39 UTC | ||||||||
| Update Date | 2026-08-19 02:14:52 UTC | ||||||||
| Accession Number | CHEM058467 | ||||||||
| Identification | |||||||||
| Common Name | 3-(4-Methylcyclohex-3-enyl)but-3-enyl acetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-(4-Methylcyclohex-3-enyl)but-3-enyl acetate belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the formula C13H20O2 and an average molecular weight of 208.30 g/mol. In industrial applications, it 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 | 6819-19-8 | ||||||||
| IUPAC Name | 3-(4-methylcyclohex-3-en-1-yl)but-3-enyl acetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=O)OCCC(=C)C1CCC(C)=CC1 | ||||||||
| InChI Identifier | InChI=1S/C13H20O2/c1-10-4-6-13(7-5-10)11(2)8-9-15-12(3)14/h4,13H,2,5-9H2,1,3H3 | ||||||||
| InChI Key | IVIORUOCIAMOLJ-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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| 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 | ||||||||
