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

CAS: 702-23-8 Cat. No.: M493169 Molecular Weight: 152.19 Beilstein Registry Number: 2043563 EC Number: 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

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)

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184390
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184390
• Canonical Smiles: 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
• Isomeric SMILES: COC1=CC=C(C=C1)CCO
• WGK Germany: 3
• Molecular Weight: 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
    • Class Phenols
      • Subclass Tyrosols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

MM96L (154 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO, Methanol.
• Refractive Index: 1.54
• Flash Point(°F): 235.4 °F
• Flash Point(°C): >110°C(230°F)
• Boil Point(°C): 334-336°C
• Melt Point(°C): 26-30°C
• Molecular Weight: 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