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

CAS: 1195-09-1 Cat. No.: M124273 Formule: C₈H₁₀O₂ Poids moléculaire: 138.17 Beilstein Registry Number: 1817644 Numéro CE: 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

Synonymes

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 |

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 504752567
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752567
• Sourires canoniques: 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
• Isomères SMILES: CC1=CC(=C(C=C1)OC)O
• RTECS: GP1770000
• Poids moléculaire: 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
    • 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 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
• 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

• Solubilité: Slightly soluble in water.
• Sensibilité: Air sensitive
• Indice de réfraction: 1.534
• Point d'ébullition (°C): 115-117°C/20mm
• Point de fusion (°C): 35-39°C
• Poids moléculaire: 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

Références

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]