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Ethyl 2,4-Dihydroxy-6-methylbenzoate - 10mM in DMSO, high purity , CAS No.2524-37-0
Basic Description
Synonyms
Ethyl 2,4-dihydroxy-6-methylbenzoate | 2524-37-0 | Ethyl orsellinate | Orsellinic acid, ethyl ester | Benzoic acid, 2,4-dihydroxy-6-methyl-, ethyl ester | o-Orsellinic acid, ethyl ester | 2,4-Dihydroxy-6-methylbenzoic Acid Ethyl Ester | orsellinic acid ethyl ester | .bet
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Product description
Ethyl 2,4-dihydroxy-6-methylbenzoate is also referred as ethyl orsellinate. It was isolated from chloroform extract of Peltigera aphthosa. It is one of the product formed during alcoholyses of lecanoric acid.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzoic acid esters - p-Hydroxybenzoic acid esters
Direct Parent
p-Hydroxybenzoic acid alkyl esters
Alternative Parents
o-Hydroxybenzoic acid esters Salicylic acid and derivatives Resorcinols Meta cresols Benzoyl derivatives Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-hydroxybenzoic acid alkyl ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Salicylic acid or derivatives - Benzoyl - M-cresol - Resorcinol - Toluene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group.
External Descriptors
Not available
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
IUPAC Name
ethyl 2,4-dihydroxy-6-methylbenzoate
INCHI
InChI=1S/C10H12O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3
InChIKey
UQSRXQMIXSZGLA-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=C(C=C(C=C1C)O)O
Isomeric SMILES
CCOC(=O)C1=C(C=C(C=C1C)O)O
WGK Germany
3
Molecular Weight
196.2
Beilstein
10(4)1526
Reaxy-Rn
2693137
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2693137&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
133 °C
Molecular Weight
196.200 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
196.074 Da
Monoisotopic Mass
196.074 Da
Topological Polar Surface Area
66.800 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
204.000
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
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