4-Ethylresorcinol - ≥98% , CAS No.2896-60-8

CAS: 2896-60-8 Cat. No.: E100551 Fórmula: C₈H₁₀O₂ Peso molecular: 138.16 Beilstein Registry Number: 6(1)441 Número CE: 220-777-1

GRADE & PURITY ≥98%

Synonyms

1,3-Benzenediol, 4-ethyl- | SCHEMBL40375 | 4-Isoxazolecarboxylic acid, 3-methyl-5-(4-nitrophenyl)-, ethyl ester | Q15726090 | 4-Ethylresorcinol, 98% | 4-ETHYL RESORCINOL | NSC62013 | NSC-62013 | MFCD00002283 | FT-0618426 | 4-ETHYLRESORCINOL | 4-Ethyl-reso

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

1,3-Benzenediol, 4-ethyl- | SCHEMBL40375 | 4-Isoxazolecarboxylic acid, 3-methyl-5-(4-nitrophenyl)-, ethyl ester | Q15726090 | 4-Ethylresorcinol, 98% | 4-ETHYL RESORCINOL | NSC62013 | NSC-62013 | MFCD00002283 | FT-0618426 | 4-ETHYLRESORCINOL | 4-Ethyl-reso

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504752853
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752853
• Sorrisos canónicos: CCC1=C(C=C(C=C1)O)O
• IUPAC Name: 4-ethylbenzene-1,3-diol
• InChIKey: VGMJYYDKPUPTID-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H3
• SMILES isoméricas: CCC1=C(C=C(C=C1)O)O
• WGK Alemanha: 3
• Peso molecular: 138.16
• Beilstein: 6(1)441
• Reaxy-Rn: 1238231
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1238231&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Resorcinols
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• 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.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility in methanol; almost transparency. Soluble in alcohol.
• Sensibilidade: Air sensitive
• Ponto de ebulição (°C): 155°C/10mmHg
• Ponto de fusão (°C): 95-98°C
• Peso molecular: 138.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 103.000
• 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