4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one (CHEM092368)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 04:21:35 UTC | ||||||||
| Update Date | 2026-04-05 04:21:35 UTC | ||||||||
| Accession Number | CHEM092368 | ||||||||
| Identification | |||||||||
| Common Name | 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. The compound has the formula C13H22O2 and an average molecular weight of 210.32 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H22O2 | ||||||||
| Average Molecular Mass | 210.317 g/mol | ||||||||
| Monoisotopic Mass | 210.162 g/mol | ||||||||
| CAS Registry Number | 36151-02-7 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(O)CCC1C(C)=CC(=O)CC1(C)C | ||||||||
| InChI Identifier | InChI=1/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,10,12,14H,5-6,8H2,1-4H3 | ||||||||
| InChI Key | UEEJDIUOCUCVHN-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 | ||||||||
