| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2018-05-02 10:44:53 UTC |
|---|
| Update date | 2018-05-04 14:28:20 UTC |
|---|
| FoodComEx ID | PC001148 |
|---|
| FoodDB Record | FDB012443 |
|---|
| Chemical Information |
|---|
| Name | 2,6-Dimethoxyphenol |
|---|
| Description | Isolated from maople syrup. Flavouring ingredient. |
|---|
| CAS Number | 91-10-1 |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| 1,3-di-O-methylpyrogallol | biospider | | 1,3-Dimethoxy-2-hydroxybenzene | biospider | | 1,3-Dimethyl pyrogallate | biospider | | 1,3-Dimethyl pyrogallic acid | Generator | | 2-Hydroxy-1,3-dimethoxybenzene | biospider | | 2,6-Dimethoxy-phenol | HMDB | | 2,6-Dimethoxyphenol | db_source | | 2,6-Dimethoxyphenol (syringol) | biospider | | 2,6-Dimethoxyphenyl | biospider | | 2,6-Dwumetoksyfenol | biospider | | Aldrich | biospider | | Dimethoxyphenol | biospider | | FEMA 3137 | db_source | | Phenol, 2,6-dimethoxy- | biospider | | Pyrogallol 1,3-dimethyl ether | biospider | | Pyrogallol dimethylether | biospider | | Syringol | db_source |
|
|---|
| Chemical Formula | C8H10O3 |
|---|
| IUPAC name | 2,6-dimethoxyphenol |
|---|
| InChI Identifier | InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3 |
|---|
| InChI Key | KLIDCXVFHGNTTM-UHFFFAOYSA-N |
|---|
| Isomeric SMILES | COC1=CC=CC(OC)=C1O |
|---|
| Average Molecular Weight | 154.1632 |
|---|
| Monoisotopic Molecular Weight | 154.062994186 |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Benzenoids |
|---|
| Class | Phenols |
|---|
| Sub Class | Methoxyphenols |
|---|
| Direct Parent | Methoxyphenols |
|---|
| Alternative Parents | |
|---|
| Substituents | - M-dimethoxybenzene
- Dimethoxybenzene
- Methoxyphenol
- Phenoxy compound
- Methoxybenzene
- Phenol ether
- Anisole
- 1-hydroxy-4-unsubstituted benzenoid
- Alkyl aryl ether
- Monocyclic benzene moiety
- Ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homomonocyclic compound
|
|---|
| Molecular Framework | Aromatic homomonocyclic compounds |
|---|
| External Descriptors | |
|---|
| Physico-Chemical Properties - Experimental |
|---|
| Property | Value | Reference |
|---|
| Experimental logP | 1.15 | SOTOMATSU,T ET AL. (1993) |
|---|
| Experimental Water Solubility | 17.2 mg/mL at 13 oC | YALKOWSKY,SH & DANNENFELSER,RM (1992) |
|---|
| Melting Point | Mp 55-56° | DFC |
|---|
|
| Foods of Origin |
|---|
| Food | Content Range | Average | Reference |
|---|
| Food | | | Reference |
|---|
|
| Production Data |
|---|
| Production Method | commercial |
|---|
| Production Method Reference | Not Available |
|---|
| Production Method Reference File | Not Available |
|---|
| Quantity Available | 1 to 2 mg |
|---|
| Delivery Time | 2 weeks |
|---|
| Storage Form | solid |
|---|
| Storage Conditions | RT |
|---|
| Stability | Not Available |
|---|
| Purity | unknown |
|---|
| Spectra |
|---|
| Spectral Data Upon Request | Not Available |
|---|
| Provider Information |
|---|
| Contact Name | Contact Institution | Contact Email |
|---|
| Augustin Scalbert | International Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372 | scalberta@iarc.fr |
|
| Commercial Vendors |
|---|
| AKSci | P362 |
|---|
| Toronto Research Chemicals | D461500 |
|---|
