Benzenepropanal, 3-(1,1-dimethylethyl)-.alpha.-methyl- (CHEM013166)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2016-05-19 04:08:52 UTC | ||||||||
| Update Date | 2026-08-19 06:58:39 UTC | ||||||||
| Accession Number | CHEM013166 | ||||||||
| Identification | |||||||||
| Common Name | Benzenepropanal, 3-(1,1-dimethylethyl)-.alpha.-methyl- | ||||||||
| Class | Small Molecule | ||||||||
| Description | Benzenepropanal, 3-(1,1-dimethylethyl)-.alpha.-methyl- belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C14H20O and an average molecular weight of 204.31 g/mol. Industrially, it is utilized as a fragrance. The compound has been identified in one recorded source, specifically drinking water and water supply, with oral exposure being the recorded route. | ||||||||
| Contaminant Sources |
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| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C14H20O | ||||||||
| Average Molecular Mass | 204.310 g/mol | ||||||||
| Monoisotopic Mass | 204.151 g/mol | ||||||||
| CAS Registry Number | 62518-65-4 | ||||||||
| IUPAC Name | 3-(3-tert-butylphenyl)-2-methylpropanal | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C14H20O/c1-11(10-15)8-12-6-5-7-13(9-12)14(2,3)4/h5-7,9-11H,8H2,1-4H3 | ||||||||
| InChI Key | GLZRHVTZLDNUQP-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 | 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 | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
