o-Cresol - ≥99% , CAS No.95-48-7

CAS: 95-48-7 Cat. No.: C108234 Formule: C₇H₈O Poids moléculaire: 108.14 Numéro CE: 202-423-8

QUALITÉ & PURETÉ ≥99%

Synonyms

Orthocresol | 2-Methylphenol | 2-hydroxytoluene

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Spécifications

Synonymes

Orthocresol | 2-Methylphenol | 2-hydroxytoluene

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥99%

Noms et identifiants

Pubchem Sid

508816681

Sourires canoniques

CC1=CC=CC=C1O

IUPAC Name

2-methylphenol

InChIKey

QWVGKYWNOKOFNN-UHFFFAOYSA-N

INCHI

1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

Isomères SMILES

CC1=CC=CC=C1O

Numéro ONU

2076

Groupe d'emballage

II

Poids moléculaire

108.14

Reaxy-Rn

506917

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506917&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho cresols
• Alternative Parents: Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
• External Descriptors: a methylphenol

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water (25 g/L, 25 °C)；Soluble in ether, alcohol and acetone.
• Sensibilité: Light & air Sensitive
• Point de congélation (°C): 30 °C
• Point d'éclair (°C): 81-83°C
• Point d'ébullition (°C): 191-192°C
• Point de fusion (°C): 30°C
• Poids moléculaire: 108.140 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 108.058 Da
• Monoisotopic Mass: 108.058 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.800
• 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