Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:12:22 UTC |
---|
Update date | 2019-11-27 17:31:17 UTC |
---|
Primary ID | FDB016329 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | 1,1-Dimethoxydecane |
---|
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. |
---|
CAS Number | 7779-41-1 |
---|
Structure | |
---|
Synonyms | Synonym | Source |
---|
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 |
|
---|
Predicted Properties | |
---|
Chemical Formula | C12H26O2 |
---|
IUPAC name | 1,1-dimethoxydecane |
---|
InChI Identifier | InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3 |
---|
InChI Key | NCRNCSZWOOYBQF-UHFFFAOYSA-N |
---|
Isomeric SMILES | CCCCCCCCCC(OC)OC |
---|
Average Molecular Weight | 202.3336 |
---|
Monoisotopic Molecular Weight | 202.193280076 |
---|
Classification |
---|
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. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Ethers |
---|
Direct Parent | Acetals |
---|
Alternative Parents | Not Available |
---|
Substituents | Not Available |
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
|
Disposition | Source: Biological location: |
---|
Process | Naturally occurring process: |
---|
Role | Industrial application: Biological role: |
---|
Physico-Chemical Properties - Experimental |
---|
Physico-Chemical Properties - Experimental | Property | Value | Reference |
---|
Physical state | Not Available | |
---|
Physical Description | Not Available | |
---|
Mass Composition | C 71.23%; H 12.95%; O 15.81% | DFC |
---|
Melting Point | Not Available | |
---|
Boiling Point | Bp 218° | DFC |
---|
Experimental Water Solubility | Not Available | |
---|
Experimental logP | Not Available | |
---|
Experimental pKa | Not Available | |
---|
Isoelectric point | Not Available | |
---|
Charge | Not Available | |
---|
Optical Rotation | Not Available | |
---|
Spectroscopic UV Data | Not Available | |
---|
Density | d15.5 0.83 | DFC |
---|
Refractive Index | n24D 1.4244 | DFC |
---|
|
---|
Spectra |
---|
Spectra | |
---|
External Links |
---|
ChemSpider ID | 22921 |
---|
ChEMBL ID | Not Available |
---|
KEGG Compound ID | Not Available |
---|
Pubchem Compound ID | 24513 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB37310 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | HKR57-R:KQO84-F |
---|
EAFUS ID | 832 |
---|
Dr. Duke ID | Not Available |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | rw1018261 |
---|
SuperScent ID | Not Available |
---|
Wikipedia ID | Not Available |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
Food | Content Range | Average | Reference |
---|
Food | | | Reference |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | Not Available |
---|
Enzymes | Not Available |
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Flavor | Citations |
---|
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.
|
|
---|
Files |
---|
MSDS | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
General Reference | Not Available |
---|
Content Reference | |
---|