2-(Methoxymethyl)phenol - ≥98% , CAS No.5635-98-3

CAS: 5635-98-3 Cat. No.: M193960 Summenformel: C₈H₁₀O₂ Molekulargewicht: 138.16 EG-Nummer: 817-500-7

GRADE & PURITY ≥98%

Synonyms

AKOS010766057 | SCHEMBL557812 | SSICPQZWCDZSQA-UHFFFAOYSA-N | 2-(Methoxymethyl)phenol | 2-methoxy-methylphenol | DTXSID90186105 | MFCD14680991 | Phenol, 2-(methoxymethyl)- | AC1453 | DS-3136 | Z821093528 | EN300-250966 | AMY32889 | methoxymethylphenol | S

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

AKOS010766057 | SCHEMBL557812 | SSICPQZWCDZSQA-UHFFFAOYSA-N | 2-(Methoxymethyl)phenol | 2-methoxy-methylphenol | DTXSID90186105 | MFCD14680991 | Phenol, 2-(methoxymethyl)- | AC1453 | DS-3136 | Z821093528 | EN300-250966 | AMY32889 | methoxymethylphenol | S

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: COCC1=CC=CC=C1O
• IUPAC Name: 2-(methoxymethyl)phenol
• InChIKey: SSICPQZWCDZSQA-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2/c1-10-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3
• Isomere SMILES: COCC1=CC=CC=C1O
• Molekulargewicht: 138.16
• Reaxy-Rn: 2043681
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043681&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

• Molekulargewicht: 138.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 93.300
• 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