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

CAS: 94-86-0 Cat. No.: E101501 Summenformel: C₁₁H₁₄O₂ Molekulargewicht: 178.23 Beilstein Registry Number: 6(2)918 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504763668
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763668
• Kanonisches Lächeln: 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+
• Isomere SMILES: CCOC1=C(C=C(C=C1)/C=C/C)O
• WGK Deutschland: 2
• RTECS: SL3850000
• Molekulargewicht: 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
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water; Soluble in Methanol
• Empfindlichkeit: light sensitive
• Siedepunkt (°C): 116°C
• Schmelzpunkt (°C): 86°C
• Molekulargewicht: 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