Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:09:33 UTC |
---|
Update date | 2015-07-20 22:39:13 UTC |
---|
Primary ID | FDB011267 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | Di-alpha-furfuryl ether |
---|
Description | Di-alpha-furfuryl ether belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Di-alpha-furfuryl ether is a coffee and nutty tasting compound. Based on a literature review very few articles have been published on Di-alpha-furfuryl ether. |
---|
CAS Number | 4437-22-3 |
---|
Structure | |
---|
Synonyms | Synonym | Source |
---|
Di-a-furfuryl ether | Generator | Di-α-furfuryl ether | Generator | 2,2'-(Oxybis(methylene))bis-furan | HMDB | 2,2'-(Oxybis(methylene))bisfuran | HMDB | 2,2'-(Oxydimethylene)di-furan | HMDB | 2,2'-(Oxydimethylene)difuran | HMDB | 2,2'-Difurfuryl ether | HMDB | 2,2'-[Oxybis(methylene)]bis-furan | HMDB | 2,2'-[Oxybis(methylene)]bisfuran | HMDB | 2-[(2-Furylmethoxy)methyl]furan | HMDB | Bis(2-furylmethyl) ether | HMDB | Difurfuryl ether | HMDB | Difurfuryl ether (7ci) | HMDB | FEMA 3337 | HMDB | Furan, 2,2'-(oxydimethylene)di- (6ci,8ci) | HMDB | Furfuryl ether | HMDB | Difurfuryl ether (7CI) | biospider | Furan, 2,2'-(oxybis(methylene))bis- | biospider | Furan, 2,2'-(oxydimethylene)di- | biospider | Furan, 2,2'-(oxydimethylene)di- (6CI,8CI) | biospider | Furan, 2,2'-[oxybis(methylene)]bis- | biospider |
|
---|
Predicted Properties | |
---|
Chemical Formula | C10H10O3 |
---|
IUPAC name | 2-[(furan-2-ylmethoxy)methyl]furan |
---|
InChI Identifier | InChI=1S/C10H10O3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6H,7-8H2 |
---|
InChI Key | YEQMNLGBLPBBNI-UHFFFAOYSA-N |
---|
Isomeric SMILES | C(OCC1=CC=CO1)C1=CC=CO1 |
---|
Average Molecular Weight | 178.1846 |
---|
Monoisotopic Molecular Weight | 178.062994186 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Heteroaromatic compounds |
---|
Sub Class | Not Available |
---|
Direct Parent | Heteroaromatic compounds |
---|
Alternative Parents | |
---|
Substituents | - Heteroaromatic compound
- Furan
- Oxacycle
- Ether
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteromonocyclic compound
|
---|
Molecular Framework | Aromatic heteromonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
|
Disposition | Source: Biological location: |
---|
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 67.41%; H 5.66%; O 26.94% | DFC |
---|
Melting Point | Not Available | |
---|
Boiling Point | Bp2 101-102° | 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 | d20 1.14 | DFC |
---|
Refractive Index | n20D 1.5088 | DFC |
---|
|
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
GC-MS | Di-alpha-furfuryl ether, non-derivatized, GC-MS Spectrum | splash10-001i-9000000000-7e0d0692ac5cc6a680ea | Spectrum | GC-MS | Di-alpha-furfuryl ether, non-derivatized, GC-MS Spectrum | splash10-001i-9000000000-7e0d0692ac5cc6a680ea | Spectrum | Predicted GC-MS | Di-alpha-furfuryl ether, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-9000000000-72d4a210e963435ea9f1 | Spectrum | Predicted GC-MS | Di-alpha-furfuryl ether, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Di-alpha-furfuryl ether, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0900000000-6bb8894e59dfbe94b4bd | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0900000000-7d7b14d0ab858734922f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9100000000-bc8657afc062a041c04c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0900000000-90430adc4867c8a38a12 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-1900000000-413023c92241a2f3448e | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-9300000000-949b0d8fcc9c4a3af7a4 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-9200000000-9eb2e983db6d205e257b | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9000000000-e639ef359a693f4ca304 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9000000000-29b62ded339ca3386b3c | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-9300000000-39e8d5e414dda2774991 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-9000000000-e78bd04a1f55e8301943 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0159-9000000000-33430601f5d222b6c485 | 2021-09-25 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | 231033 |
---|
ChEMBL ID | Not Available |
---|
KEGG Compound ID | Not Available |
---|
Pubchem Compound ID | 263034 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB33248 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | GLT82-B:GLT82-B |
---|
EAFUS ID | 905 |
---|
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 | rw1019051 |
---|
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 |
---|
coffee |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| nutty |
- 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 | |
---|