| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:41 UTC |
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| Update date | 2017-01-19 02:36:31 UTC |
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| FoodComEx ID | PC000637 |
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| FoodDB Record | FDB011885 |
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| Chemical Information |
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| Name | 2-Methoxyphenol |
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| Description | Present in Parmesan cheese, tea and soybean. Flavouring ingredient. 2-Methoxyphenol is found in many foods, some of which are milk and milk products, asparagus, pepper (c. annuum), and wild celery. |
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| CAS Number | 90-05-1 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1-Hydroxy-2-methoxybenzene | biospider | | 2-Hydroxy-Anisole | biospider | | 2-Hydroxyanisole | biospider | | 2-methoxy-Phenol | biospider | | Anastil | HMDB | | Catechol methyl ether | db_source | | Catechol monomethyl ether | biospider | | Creodon | biospider | | FEMA 2532 | db_source | | Guaiacol | db_source | | Guaiacol (liquid) extra pure | HMDB | | Guaiastil | biospider | | Guaicol | biospider | | Guaicolina | HMDB | | Guajakol | HMDB | | Guajol | HMDB | | Guasol | HMDB | | Guiacol | biospider | | Methoxyphenol | biospider | | Methyl catechol | biospider | | Methylcatachol | HMDB | | Methylcatechol | HMDB | | O-guaiacol | biospider | | O-guiacol | biospider | | o-Hydroxyanisole | db_source | | O-methoxy-phenol | biospider | | O-methoxyphenol | biospider | | O-methyl catechol | biospider | | Ortho-guaiacol | biospider | | Phenol, 2-methoxy- | biospider | | Phenol, methoxy- | biospider | | Phenol, o-methoxy- | biospider | | Pyrocatechol monomethyl ether | HMDB | | Pyroguaiac acid | HMDB |
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| Chemical Formula | C7H8O2 |
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| IUPAC name | 2-methoxyphenol |
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| InChI Identifier | InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 |
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| InChI Key | LHGVFZTZFXWLCP-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=C(O)C=CC=C1 |
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| Average Molecular Weight | 124.139 |
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| Monoisotopic Molecular Weight | 124.052429498 |
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| Chemical Taxonomy |
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| 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. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Phenols |
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| Sub Class | Methoxyphenols |
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| Direct Parent | Methoxyphenols |
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| Alternative Parents | |
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| Substituents | - Methoxyphenol
- Phenoxy compound
- Methoxybenzene
- Phenol ether
- Anisole
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Monocyclic benzene moiety
- Ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | 1.32 | HANSCH,C ET AL. (1995) |
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| Experimental Water Solubility | 18.7 mg/mL at 15 oC | YALKOWSKY,SH & DANNENFELSER,RM (1992) |
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| Melting Point | Mp 32° (prisms) | DFC |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 700 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | G383 |
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| AKSci | J11070 |
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| Cayman Chemical | 70430 |
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| Cayman Chemical | HMDB0001398 |
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| MetaSci | HMDB0001398 |
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| Toronto Research Chemicals | M265300 |
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