2-Methoxy-5-methylphenol - ≥98%(GC) , CAS No.1195-09-1

CAS: 1195-09-1 Cat. No.: M124273 Fórmula: C₈H₁₀O₂ Peso molecular: 138.17 Beilstein Registry Number: 1817644 Número EC: 214-791-7

GRADE & PURITY ≥98%(GC)

Synonyms

4-methyl-2-hydroxy anisole | BRN 1817644 | Q10303982 | IFNDEOYXGHGERA-UHFFFAOYSA- | DTXSID70152469 | EN300-177729 | FT-0615823 | 6-Methoxy-m-cresol | 2-methoxy-5-methylphenol, AldrichCPR | 5-methyl-2-methoxyphenol | ghl.PD_Mitscher_leg0.527 | Isocreosol |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

4-methyl-2-hydroxy anisole | BRN 1817644 | Q10303982 | IFNDEOYXGHGERA-UHFFFAOYSA- | DTXSID70152469 | EN300-177729 | FT-0615823 | 6-Methoxy-m-cresol | 2-methoxy-5-methylphenol, AldrichCPR | 5-methyl-2-methoxyphenol | ghl.PD_Mitscher_leg0.527 | Isocreosol |

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504752567
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752567
• Sonrisas canónicas: CC1=CC(=C(C=C1)OC)O
• IUPAC Name: 2-methoxy-5-methylphenol
• InChIKey: IFNDEOYXGHGERA-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3
• Isómeros SMILES: CC1=CC(=C(C=C1)OC)O
• RTECS: GP1770000
• Peso molecular: 138.17
• Beilstein: 1817644
• Reaxy-Rn: 1817644
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1817644&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Meta cresols 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 - M-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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Air sensitive
• Índice de refracción: 1.534
• Punto de ebullición (°C): 115-117°C/20mm
• Punto de fusión (°C): 35-39°C
• Peso molecular: 138.160 g/mol
• XLogP3: 2.100
• 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

Referencias

1. Xing Shen, Yang Chen, Xiuxiu Liu, Xuejiao Qie, Zhongping Chai, Maomao Zeng.  (2024)  Effects and mechanisms of using “clean” smoke particles in the smoking process on the formation of β-carboline heterocyclic amines (β-CHAs) in smoked meat patties.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38870859] [10.1016/j.jhazmat.2024.134843]

2. Jingtao Wang, Xiaoling Zhou, Yalong Guo, Qingzhao Shi, Shan Wang, Qichao Ye, Wu Fan, Guobi Chai, Qidong Zhang.  (2026)  An integrated approach to smoky food flavor: Decoding key odorants, sensory contributions, and olfactory recognition mechanisms.  Current Research in Food Science,      [PMID:41868604] [10.1016/j.crfs.2026.101377]