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Ethyl 6-ethoxy-2-hydroxybenzoate - 95%, high purity , CAS No.154364-61-1
Basic Description
Synonyms
SCHEMBL10066978 | J-009095 | ethyl 2-ethoxy-6-hydroxybenzoate | ETHYL 6-ETHOXY-2-HYDROXYBENZOATE 95 | FT-0739956 | Ethyl 6-ethoxy-2-hydroxybenzoate,95% | ETHYL 6-ETHOXY-2-HYDROXYBENZOATE, 95% | DTXSID70404935 | Ethyl 6-ethoxy-2-hydroxybenzoate
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Salicylic acid and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Vinylogous acid - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy 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.
Names and Identifiers
Pubchem Sid
488194932
IUPAC Name
ethyl 2-ethoxy-6-hydroxybenzoate
INCHI
InChI=1S/C11H14O4/c1-3-14-9-7-5-6-8(12)10(9)11(13)15-4-2/h5-7,12H,3-4H2,1-2H3
InChIKey
RWBODKGPEZVFRX-UHFFFAOYSA-N
Smiles
CCOC1=CC=CC(=C1C(=O)OCC)O
Isomeric SMILES
CCOC1=CC=CC(=C1C(=O)OCC)O
WGK Germany
3
Molecular Weight
210.23
Reaxy-Rn
6596378
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6596378&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
60° C (lit.)
Molecular Weight
210.230 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
210.089 Da
Monoisotopic Mass
210.089 Da
Topological Polar Surface Area
55.800 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
205.000
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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B23011100