| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:12:21 UTC |
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| Update date | 2019-08-01 18:42:18 UTC |
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| Primary ID | FDB016284 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | (±)-2,2,4-Trimethyl-1,3-dioxolane |
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| Description | 2,2,4-Trimethyl-1,3-dioxolane belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. 2,2,4-Trimethyl-1,3-dioxolane is an earthy, green, and potato tasting compound. Based on a literature review very few articles have been published on 2,2,4-Trimethyl-1,3-dioxolane. |
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| CAS Number | 1193-11-9 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Not Available | Not Available |
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| Predicted Properties | Not Available |
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| Chemical Formula | C6H12O2 |
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| IUPAC name | |
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| InChI Identifier | InChI=1S/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3 |
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| InChI Key | ALTFLAPROMVXNX-UHFFFAOYSA-N |
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| Isomeric SMILES | CC1COC(C)(C)O1 |
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| Average Molecular Weight | 116.1583 |
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| Monoisotopic Molecular Weight | 116.083729628 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Ethers |
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| Direct Parent | Ketals |
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| Alternative Parents | |
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| Substituents | - Ketal
- Meta-dioxolane
- Oxacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties - Experimental |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | C 62.04%; H 10.41%; O 27.55% | DFC |
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| Melting Point | Not Available | |
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| Boiling Point | Bp 98-100° | DFC |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | d18.54 0.91 | DFC |
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| Refractive Index | n18.5D 1.4019 | DFC |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | Not Available |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 56172 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 62384 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB37266 |
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| CRC / DFC (Dictionary of Food Compounds) ID | KPZ43-O:KQB02-S |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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