2-(3-Methoxyphenyl)ethanol - ≥97% , CAS No.5020-41-7

CAS: 5020-41-7 Cat. No.: M136341 Formula: CH₃OC₆H₄CH₂CH₂OH Peso molecolare: 152.19 Beilstein Registry Number: 1863114 Numero EC: 225-705-2

GRADE & PURITY ≥97%

Synonyms

EN300-1250160 | 3-(2-Hydroxyethyl)anisole | m-Methoxyphenethyl alcohol | AMY28434 | InChI=1/C9H12O2/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H | CK2455 | DS-16544 | N-(4-Hydroxy-biphenyl-3-yl)-acetamide | SCHEMBL43521 | NSC-55877 | Tetradecane, 1,1'-o

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

EN300-1250160 | 3-(2-Hydroxyethyl)anisole | m-Methoxyphenethyl alcohol | AMY28434 | InChI=1/C9H12O2/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H | CK2455 | DS-16544 | N-(4-Hydroxy-biphenyl-3-yl)-acetamide | SCHEMBL43521 | NSC-55877 | Tetradecane, 1,1'-o

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488185610

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185610

Sorrisi canonici

COC1=CC=CC(=C1)CCO

IUPAC Name

2-(3-methoxyphenyl)ethanol

InChIKey

UPPGEJSCUZMCMW-UHFFFAOYSA-N

INCHI

1S/C9H12O2/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H3

Isomeri SMILES

COC1=CC=CC(=C1)CCO

WGK Germania

3

Peso molecolare

152.19

Beilstein

1863114

Reaxy-Rn

1863114

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1863114&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.54
• Punto di infiammabilità (°F): >235.4 °F
• Punto di infiammabilità (°C): >113 °C
• Punto di ebollizione (°C): 141-143°C/12mmHg
• Peso molecolare: 152.190 g/mol
• XLogP3: 1.900
• 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: 104.000
• 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