5-Methoxy-2-methylphenol - ≥98% , CAS No.20734-74-1

CAS: 20734-74-1 Cat. No.: M191987 Formule: C₈H₁₀O₂ Poids moléculaire: 138.16 Numéro CE: 959-899-1

GRADE & PURITY ≥98%

Synonyms

QXIOWYFFTWXSHE-UHFFFAOYSA-N | SY047880 | 3-Methoxy-6-methylphenol | o-Cresol, 5-methoxy- | 6-METHYL-3-METHOXYPHENOL | AKOS016052326 | 2-HYDROXY-4-METHOXYTOLUENE | DTXSID10449507 | MFCD12405727 | DS-15714 | 3-HYDROXY-4-METHYLANISOLE | GF9UJ4G65C | Phenol,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

QXIOWYFFTWXSHE-UHFFFAOYSA-N | SY047880 | 3-Methoxy-6-methylphenol | o-Cresol, 5-methoxy- | 6-METHYL-3-METHOXYPHENOL | AKOS016052326 | 2-HYDROXY-4-METHOXYTOLUENE | DTXSID10449507 | MFCD12405727 | DS-15714 | 3-HYDROXY-4-METHYLANISOLE | GF9UJ4G65C | Phenol,

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CC1=C(C=C(C=C1)OC)O

IUPAC Name

5-methoxy-2-methylphenol

InChIKey

QXIOWYFFTWXSHE-UHFFFAOYSA-N

INCHI

1S/C8H10O2/c1-6-3-4-7(10-2)5-8(6)9/h3-5,9H,1-2H3

Isomères SMILES

CC1=C(C=C(C=C1)OC)O

Poids moléculaire

138.16

Reaxy-Rn

2243580

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2243580&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Ortho cresols Methoxybenzenes Anisoles Toluenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - O-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 138.160 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• 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: 103.000
• 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