trans-2-Ethoxy-5-(1-propenyl)phenol - ≥98% , CAS No.94-86-0

CAS: 94-86-0 Cat. No.: E101501 Formule: C₁₁H₁₄O₂ Poids moléculaire: 178.23 Beilstein Registry Number: 6(2)918 Numéro CE: 202-370-0

GRADE & PURITY ≥98%

Synonyms

6-ethoxy- | AS-9932 | m-Anol | Propenyl guaethol [II] | 2-Ethoxy-5-propenylphenol | 2-Ethoxy-5-propenyl-phenol | DTXCID1027716 | FEMA No. 2922 | DTXSID7047726 | FEMA 2922 | (E)-2-ethoxy-5-(prop-1-enyl)phenol | 1-Ethoxy-2-hydroxy-4-propenylbenzene | Phenol

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonymes

6-ethoxy- | AS-9932 | m-Anol | Propenyl guaethol [II] | 2-Ethoxy-5-propenylphenol | 2-Ethoxy-5-propenyl-phenol | DTXCID1027716 | FEMA No. 2922 | DTXSID7047726 | FEMA 2922 | (E)-2-ethoxy-5-(prop-1-enyl)phenol | 1-Ethoxy-2-hydroxy-4-propenylbenzene | Phenol

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504763668
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763668
• Sourires canoniques: CCOC1=C(C=C(C=C1)C=CC)O
• IUPAC Name: 2-ethoxy-5-[(E)-prop-1-enyl]phenol
• InChIKey: RADIRXJQODWKGQ-HWKANZROSA-N
• INCHI: 1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+
• Isomères SMILES: CCOC1=C(C=C(C=C1)/C=C/C)O
• WGK Allemagne: 2
• RTECS: SL3850000
• Poids moléculaire: 178.23
• Beilstein: 6(2)918
• Reaxy-Rn: 2097205
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2097205&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Styrenes Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Styrene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water; Soluble in Methanol
• Sensibilité: light sensitive
• Point d'ébullition (°C): 116°C
• Point de fusion (°C): 86°C
• Poids moléculaire: 178.230 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099 Da
• Monoisotopic Mass: 178.099 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 165.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1