| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:10:10 UTC |
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| Update date | 2019-11-27 17:21:51 UTC |
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| Primary ID | FDB012433 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | 1,1-Dimethoxynonane |
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| Description | 1,1-Dimethoxynonane belongs to the class of organic compounds known as acetals. Acetals are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups. 1,1-Dimethoxynonane is an extremely weak basic (essentially neutral) compound (based on its pKa). 1,1-Dimethoxynonane is a citrus, floral, and fresh tasting compound. 1,1-Dimethoxynonane has been detected, but not quantified in, evergreen blackberries. This could make 1,1-dimethoxynonane a potential biomarker for the consumption of these foods. |
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| CAS Number | 18824-63-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1,1-Dimethoxy-nonane | HMDB | | 1,1-Dimethoxynonane, 9ci | HMDB | | N-Nonanal dimethyl acetal | HMDB | | Nonanal dimethyl acetal | HMDB | | 1,1-Dimethoxynonane, 9CI | db_source | | N-nonanal dimethyl acetal | biospider | | Nonane, 1,1-dimethoxy- | biospider |
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| Predicted Properties | |
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| Chemical Formula | C11H24O2 |
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| IUPAC name | 1,1-dimethoxynonane |
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| InChI Identifier | InChI=1S/C11H24O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-10H2,1-3H3 |
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| InChI Key | LYLVOCPDQAOQKL-UHFFFAOYSA-N |
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| Isomeric SMILES | CCCCCCCCC(OC)OC |
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| Average Molecular Weight | 188.3071 |
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| Monoisotopic Molecular Weight | 188.177630012 |
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| Classification |
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| Description | belongs to the class of organic compounds known as acetals. Acetals are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups. |
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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 | Acetals |
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| Alternative Parents | |
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| Substituents | - Acetal
- Hydrocarbon derivative
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Disposition | Source: Biological location: |
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| Process | Naturally occurring process: |
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| Role | Industrial application: Biological role: |
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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 70.16%; H 12.85%; O 16.99% | DFC |
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| Melting Point | Not Available | |
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| Boiling Point | Bp15 96-98° | 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 | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| External Links |
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| ChemSpider ID | 79223 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 87813 |
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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 | HMDB34151 |
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| CRC / DFC (Dictionary of Food Compounds) ID | CVW31-A:HGW29-H |
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| EAFUS ID | 2687 |
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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 | rw1017811 |
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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 | | Flavor | Citations |
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| fresh |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| | floral |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| | plastic |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| | citrus |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| | green |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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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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