(1)(1Alpha,2alpha,5beta)-5-Methyl-2-(1-methylethyl)cyclohexyl salicylate (CHEM076665)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 16:32:02 UTC | ||||||||
| Update Date | 2026-04-04 16:32:02 UTC | ||||||||
| Accession Number | CHEM076665 | ||||||||
| Identification | |||||||||
| Common Name | (1)(1Alpha,2alpha,5beta)-5-Methyl-2-(1-methylethyl)cyclohexyl salicylate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C17H26O3 | ||||||||
| Average Molecular Mass | 277.385 g/mol | ||||||||
| Monoisotopic Mass | 278.188 g/mol | ||||||||
| CAS Registry Number | 93966-39-3 | ||||||||
| IUPAC Name | (1R)-2-hydroxy-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclohexa-2,4-diene-1-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)[C@@H]1CC[C@@H](C)CC1[C@@]1(CC=CC=C1O)C([O-])=O | ||||||||
| InChI Identifier | InChI=1S/C17H26O3/c1-11(2)13-8-7-12(3)10-14(13)17(16(19)20)9-5-4-6-15(17)18/h4-6,11-14,18H,7-10H2,1-3H3,(H,19,20)/t12-,13+,14-,17-/m1/s1 | ||||||||
| InChI Key | HHJUQKQNWTWFHP-DVJFUJMWSA-M | ||||||||
| 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 |
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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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
