| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:12:22 UTC |
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| Update date | 2019-11-27 17:31:17 UTC |
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| Primary ID | FDB016329 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | 1,1-Dimethoxydecane |
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| Description | 1,1-Dimethoxydecane, also known as decylaldehyde dma or fema 2363, 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-Dimethoxydecane is an extremely weak basic (essentially neutral) compound (based on its pKa). 1,1-Dimethoxydecane is a citrus, green, and herbal tasting compound. |
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| CAS Number | 7779-41-1 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1,1-Dimethoxy-decane | HMDB | | 10,10-Dimethoxydecane | HMDB | | Aldehyde C-10 dimethylacetal | HMDB | | Capraldehyde dimethyl acetal | HMDB | | Decanal dimethyl acetal | HMDB | | Decanal, dimethyl acetal | HMDB | | Decanal, dimethyl acetal (8ci) | HMDB | | Decanal, dimethylacetal | HMDB | | Decylaldehyde dimethyl acetal | HMDB | | Decylaldehyde dimethylacetal | HMDB | | Decylaldehyde dma | HMDB | | FEMA 2363 | HMDB | | N-Decanal dimethyl acetal | HMDB | | 1,1-Dimethoxydecane | db_source | | Decanal, dimethyl acetal (8CI) | biospider | | Decane, 1,1-dimethoxy- | biospider | | N-decanal dimethyl acetal | biospider |
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| Predicted Properties | |
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| Chemical Formula | C12H26O2 |
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| IUPAC name | 1,1-dimethoxydecane |
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| InChI Identifier | InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3 |
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| InChI Key | NCRNCSZWOOYBQF-UHFFFAOYSA-N |
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| Isomeric SMILES | CCCCCCCCCC(OC)OC |
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| Average Molecular Weight | 202.3336 |
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| Monoisotopic Molecular Weight | 202.193280076 |
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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 | Not Available |
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| Substituents | Not Available |
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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 71.23%; H 12.95%; O 15.81% | DFC |
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| Melting Point | Not Available | |
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| Boiling Point | Bp 218° | 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 | d15.5 0.83 | DFC |
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| Refractive Index | n24D 1.4244 | DFC |
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| Spectra |
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| Spectra | |
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| External Links |
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| ChemSpider ID | 22921 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 24513 |
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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 | HMDB37310 |
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| CRC / DFC (Dictionary of Food Compounds) ID | HKR57-R:KQO84-F |
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| EAFUS ID | 832 |
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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 | rw1018261 |
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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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| herbal |
- 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.
| | neroli |
- 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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