[(2s)-2-ethylhexyl] (1r,2s,5s)-5-[8-[(2s)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohexane-1-carboxylate (CHEM350427)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 22:08:25 UTC | ||||||||
| Update Date | 2026-08-31 22:08:25 UTC | ||||||||
| Accession Number | CHEM350427 | ||||||||
| Identification | |||||||||
| Common Name | [(2s)-2-ethylhexyl] (1r,2s,5s)-5-[8-[(2s)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohexane-1-carboxylate | ||||||||
| Class | Small Molecule | ||||||||
| Description | [(2s)-2-ethylhexyl] (1r,2s,5s)-5-[8-[(2s)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohexane-1-carboxylate is a chemical compound with the formula C37H70O4. With an average molecular weight of 578.90 g/mol, [(2s)-2-ethylhexyl] (1r,2s,5s)-5-[8-[(2s)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohexane-1-carboxylate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C37H70O4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 578.527 g/mol | ||||||||
| CAS Registry Number | 72245-39-7 | ||||||||
| IUPAC Name | [(2s)-2-ethylhexyl] (1r,2s,5s)-5-[8-[(2s)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohexane-1-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCC1CCC(CC1C(=O)OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC | ||||||||
| InChI Identifier | InChI=1S/C37H70O4/c1-6-11-14-19-24-34-27-26-33(28-35(34)37(39)41-30-32(10-5)22-13-8-3)23-18-16-15-17-20-25-36(38)40-29-31(9-4)21-12-7-2/h31-35H,6-30H2,1-5H3/t31-,32-,33-,34-,35+/m0/s1 | ||||||||
| InChI Key | BZEHQVOONDIRHV-PRTBYXSSSA-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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| 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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
