2-Methyl-3,5-dinitrobenzyl alcohol (CHEM094264)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 06:01:42 UTC | ||||||||
| Update Date | 2026-04-17 19:18:31 UTC | ||||||||
| Accession Number | CHEM094264 | ||||||||
| Identification | |||||||||
| Common Name | 2-Methyl-3,5-dinitrobenzyl alcohol | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-Methyl-3,5-dinitrobenzyl alcohol (C8H10N2O5) is an organic compound with an average molecular weight of 212.16 g/mol. 2-Methyl-3,5-dinitrobenzyl alcohol belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid has been found in or released from food contact materials used in food, food processing, and cookware. Recorded exposure routes for this substance include inhalation, oral intake, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C8H10N2O5 | ||||||||
| Average Molecular Mass | 212.161 g/mol | ||||||||
| Monoisotopic Mass | 214.059 g/mol | ||||||||
| CAS Registry Number | 80866-94-0 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C=C(C=C1CO)N(=O)=O)N(=O)=O | ||||||||
| InChI Identifier | InChI=1/C8H8N2O5/c1-5-6(4-11)2-7(9(12)13)3-8(5)10(14)15/h2-3,11H,4H2,1H3 | ||||||||
| InChI Key | HLBXFLNVFJFEKD-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Benzenoids | ||||||||
| Class | Benzene and substituted derivatives | ||||||||
| Sub Class | Toluenes | ||||||||
| Direct Parent | Dinitrotoluenes | ||||||||
| Alternative Parents | |||||||||
| Substituents |
| ||||||||
| Molecular Framework | Aromatic homomonocyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| 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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| 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 | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | HMDB0341235 | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | 522478 | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 600986 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
