2,3-Dimethylanisole - ≥98%(GC) , CAS No.2944-49-2

CAS: 2944-49-2 Cat. No.: D123572 Molecular Weight: 136.19 Beilstein Registry Number: 1859736 EC Number: 220-948-0

GRADE & PURITY ≥98%(GC)

Synonyms

CK1192 | FT-0609705 | Benzene, 1-methoxy-2,3-dimethyl- | 1-Methoxy-2,3-dimethylbenzene;1,2-Dimethyl-6-methoxybenzene | 2,3-Dimethylanisole | 2,3-dimethyl-anisole | Tribehenoyl glycerol | UNII-1O9C26L62B | 2,3-Dimethylanisole, 97% | Alphamethadolum | SY048

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

CK1192 | FT-0609705 | Benzene, 1-methoxy-2, 3-dimethyl- | 1-Methoxy-2, 3-dimethylbenzene;1, 2-Dimethyl-6-methoxybenzene | 2, 3-Dimethylanisole | 2, 3-dimethyl-anisole | Tribehenoyl glycerol | UNII-1O9C26L62B | 2, 3-Dimethylanisole, 97% | Alphamethadolum | SY048

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488185238
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185238
• Canonical Smiles: CC1=C(C(=CC=C1)OC)C
• IUPAC Name: 1-methoxy-2,3-dimethylbenzene
• InChIKey: BLMBNEVGYRXFNA-UHFFFAOYSA-N
• INCHI: 1S/C9H12O/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3
• Isomeric SMILES: CC1=C(C(=CC=C1)OC)C
• WGK Germany: 3
• Molecular Weight: 136.19
• Beilstein: 1859736
• Reaxy-Rn: 1859736
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859736&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: o-Xylenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - O-xylene - Xylene - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.52
• Flash Point(°F): 230 °F
• Flash Point(°C): 67°(152°F)
• Boil Point(°C): 195°C
• Melt Point(°C): 29°C
• Molecular Weight: 136.190 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.089 Da
• Monoisotopic Mass: 136.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• 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

References

1. Hualong Zhang, Wen Xu, Zhigang Wu, Chao Liu, Chunyan Hong.  (2021)  A versatile ring-closure method for efficient synthesis of cyclic polymer and tadpole-shaped copolymer.  POLYMER,      [PMID:] [10.1016/j.polymer.2021.124314]