3,5-Dimethylphenol solution - analytical standard, 1000ug/ml in methanol , CAS No.108-68-9

CAS: 108-68-9 Cat. No.: D117390 Molecular Weight: 122.16 Beilstein Registry Number: 774117 EC Number: 203-606-5

GRADE & PURITY Analytical standard, 1000ug/ml in methanol

Synonyms

5-Hydroxy-m-xylene sym.-m-Xylenol 3,5-Xylenol m-Xylenol

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

5-Hydroxy-m-xylene sym.-m-Xylenol 3, 5-Xylenol m-Xylenol

Specifications & Purity

analytical standard, 1000ug/ml in methanol

Storage

Protected from light, Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: Cc1cc(C)cc(O)c1
• InChIKey: TUAMRELNJMMDMT-UHFFFAOYSA-N
• INCHI: 1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
• Isomeric SMILES: CC1=CC(=CC(=C1)O)C
• WGK Germany: 2
• RTECS: ZE6475000
• UN Number: 2261
• Packing Group: II
• Molecular Weight: 122.16
• Beilstein: 774117
• Reaxy-Rn: 774117
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774117&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Meta cresols
• Alternative Parents: m-Xylenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Xylene - M-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - 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 meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
• External Descriptors: phenols

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

Chemical and Physical Properties

• Solubility: Slightly soluble in water, soluble in alcohol.
• Sensitivity: Air Light Sensitive
• Flash Point(°F): 109 °C
• Flash Point(°C): 109°C
• Boil Point(°C): 222°C
• Melt Point(°C): 64°C

References

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