1,4-Bis(methoxymethyl)benzene - ≥99%(GC) , CAS No.6770-38-3

CAS: 6770-38-3 Cat. No.: B153001 Molecular Weight: 166.22 EC Number: 229-828-2

GRADE & PURITY ≥99%(GC)

Synonyms

alpha,alpha'-Dimethoxy-p-xylene | NCGC00256187-01 | NSC137830 | NSC-137830 | 4V4WOT91ND | W-104705 | MFCD01318537 | 1,4-Bis(methoxymethyl)benzene | 2H-903 | 1,4-Bis(methoxymethyl)benzene, AldrichCPR | UNII-4V4WOT91ND | PIPERAZINE (HEXAHYDRATE) | SY052007

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

alpha, alpha'-Dimethoxy-p-xylene | NCGC00256187-01 | NSC137830 | NSC-137830 | 4V4WOT91ND | W-104705 | MFCD01318537 | 1, 4-Bis(methoxymethyl)benzene | 2H-903 | 1, 4-Bis(methoxymethyl)benzene, AldrichCPR | UNII-4V4WOT91ND | PIPERAZINE (HEXAHYDRATE) | SY052007

Specifications & Purity

≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 488185941
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185941
• Canonical Smiles: COCC1=CC=C(C=C1)COC
• IUPAC Name: 1,4-bis(methoxymethyl)benzene
• InChIKey: DAJPMKAQEUGECW-UHFFFAOYSA-N
• INCHI: 1S/C10H14O2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-6H,7-8H2,1-2H3
• Isomeric SMILES: COCC1=CC=C(C=C1)COC
• Molecular Weight: 166.22
• Reaxy-Rn: 2248350
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2248350&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

• Flash Point(°C): 118°C
• Boil Point(°C): 235°C
• Molecular Weight: 166.220 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.099 Da
• Monoisotopic Mass: 166.099 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 92.400
• 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. Shuangchun Lu, Wenjuan Xue, Hao Wang, Qingling Liu, Rui Han, Donghai Mei.  (2023)  A surface-induced coating strategy for constructing hydrophobic zeolite composite to enhance the toluene adsorption in humid environment.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.144570]