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Veratrole - ≥99%, high purity , CAS No.91-16-7
Basic Description
Synonyms
Catechol dimethyl ether | EN300-16122 | HY-B1812 | 2-Dimethoxybenzol | Guaiacol methylether | NSC 16934 | Q-200062 | Q131994 | STL146732 | ghl.PD_Mitscher_leg0.397 | Methyl guaiacol | 1,2-Dimethoxybenzene, puriss., >=99.0% (GC) | AKOS000120951 | F1908-010
Specifications & Purity
≥99%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Methoxybenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Dimethoxybenzenes
Alternative Parents
Phenoxy compounds Anisoles Alkyl aryl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors
dimethoxybenzene
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488180259
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180259
IUPAC Name
1,2-dimethoxybenzene
INCHI
InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
InChIKey
ABDKAPXRBAPSQN-UHFFFAOYSA-N
Smiles
COC1=CC=CC=C1OC
Isomeric SMILES
COC1=CC=CC=C1OC
WGK Germany
1
RTECS
CZ6475000
PubChem CID
7043
Molecular Weight
138.16
Beilstein
1364621
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility in water: Practically insoluble; Very soluble in Ether,Benzene,Ethanol; Soluble in Acetone
Freezing Point(°C)
21 °C
Refractive Index
1.5827
Flash Point(°F)
87℃
Flash Point(°C)
87℃
Boil Point(°C)
206-207°C
Melt Point(°C)
22-23°C
Molecular Weight
138.160 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
138.068 Da
Monoisotopic Mass
138.068 Da
Topological Polar Surface Area
18.500 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
81.300
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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