5-Ethyl-2-hydroxybenzaldehyde - ≥95% , CAS No.52411-35-5

CAS: 52411-35-5 Cat. No.: E344459 Summenformel: C₉H₁₀O₂ Molekulargewicht: 150.18 EG-Nummer: 864-821-3

GRADE & PURITY ≥95%

Synonyms

5-ethyl-2-hydroxybenzaldehyde | 5-Ethyl-2-hydroxy-benzaldehyde | 5-ethyl-2-hydroxybenzenecarbaldehyde, AldrichCPR | FT-0600731 | E90014 | SCHEMBL305074 | MFCD06739514 | 5-ethyl-2-hydroxybenzenecarbaldehyde | 5-ethyl-salicylaldehyde | DTXSID20423939 | EN30

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

5-ethyl-2-hydroxybenzaldehyde | 5-Ethyl-2-hydroxy-benzaldehyde | 5-ethyl-2-hydroxybenzenecarbaldehyde, AldrichCPR | FT-0600731 | E90014 | SCHEMBL305074 | MFCD06739514 | 5-ethyl-2-hydroxybenzenecarbaldehyde | 5-ethyl-salicylaldehyde | DTXSID20423939 | EN30

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504764140

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764140

Kanonisches Lächeln

CCC1=CC(=C(C=C1)O)C=O

IUPAC Name

5-ethyl-2-hydroxybenzaldehyde

InChIKey

XSTCLZHMZASDDK-UHFFFAOYSA-N

INCHI

1S/C9H10O2/c1-2-7-3-4-9(11)8(5-7)6-10/h3-6,11H,2H2,1H3

Isomere SMILES

CCC1=CC(=C(C=C1)O)C=O

Molekulargewicht

150.18

Reaxy-Rn

2612830

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2612830&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Aryl-aldehydes
            • Ebene7 Benzaldehydes
              • Ebene8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and 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.

DOI: 10.1186/s13321-016-0174-y

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 150.170 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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