4-Methoxyphenethyl alcohol - ≥98% , CAS No.702-23-8

CAS: 702-23-8 Cat. No.: M493169 Peso molecular: 152.19 Beilstein Registry Number: 2043563 Número EC: 211-866-6

GRADE & PURITY ≥98%

Synonyms

2-(p-methoxyphenyl)-ethan-1-ol | SCHEMBL77472 | 4-Methoxyphenethyl alcohol, 99% | 2-(p-Methoxyphenyl)ethanol | 2-(p-Methoxyphenyl)ethyl alcohol | EINECS 211-866-6 | SY014083 | 2-(4-Methoxyphenyl)ethanol | 2-(4-Methoxy-phenyl)-ethanol | 2-(4-methoxyphenyl)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-(p-methoxyphenyl)-ethan-1-ol | SCHEMBL77472 | 4-Methoxyphenethyl alcohol, 99% | 2-(p-Methoxyphenyl)ethanol | 2-(p-Methoxyphenyl)ethyl alcohol | EINECS 211-866-6 | SY014083 | 2-(4-Methoxyphenyl)ethanol | 2-(4-Methoxy-phenyl)-ethanol | 2-(4-methoxyphenyl)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488184390
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184390
• Sonrisas canónicas: COC1=CC=C(C=C1)CCO
• IUPAC Name: 2-(4-methoxyphenyl)ethanol
• InChIKey: AUWDOZOUJWEPBA-UHFFFAOYSA-N
• INCHI: 1S/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3
• Isómeros SMILES: COC1=CC=C(C=C1)CCO
• WGK Alemania: 3
• Peso molecular: 152.19
• Beilstein: 2043563
• Reaxy-Rn: 2043563
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043563&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Tyrosols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Tyrosols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tyrosols and derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosol derivative - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tyrosols and derivatives. These are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol 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

Objetivos asociados (humanos)

MM96L (154 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO, Methanol.
• Índice de refracción: 1.54
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): >110°C(230°F)
• Punto de ebullición (°C): 334-336°C
• Punto de fusión (°C): 26-30°C
• Peso molecular: 152.190 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.084 Da
• Monoisotopic Mass: 152.084 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 95.700
• 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