6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate (CHEM076525)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 16:16:38 UTC | ||||||||
| Update Date | 2026-04-04 16:16:38 UTC | ||||||||
| Accession Number | CHEM076525 | ||||||||
| Identification | |||||||||
| Common Name | 6-Methylheptyl 4-(chloro-2-methylphenoxy)butyrate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C19H29Cl1O3 | ||||||||
| Average Molecular Mass | 340.890 g/mol | ||||||||
| Monoisotopic Mass | 340.181 g/mol | ||||||||
| CAS Registry Number | 93840-66-5 | ||||||||
| IUPAC Name | 6-methylheptyl 4-(3-chloro-2-methylphenoxy)butanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)CCCCCOC(=O)CCCOC1=C(C)C(Cl)=CC=C1 | ||||||||
| InChI Identifier | InChI=1S/C19H29ClO3/c1-15(2)9-5-4-6-13-23-19(21)12-8-14-22-18-11-7-10-17(20)16(18)3/h7,10-11,15H,4-6,8-9,12-14H2,1-3H3 | ||||||||
| InChI Key | LOZWYDXWEXXLRO-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 | ||||||||
| 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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
