Cas no 7116-51-0 (1-(methoxymethyl)-3-methylbenzene)

1-(Methoxymethyl)-3-methylbenzene is a substituted aromatic compound featuring a methoxymethyl group at the 1-position and a methyl group at the 3-position of the benzene ring. This structure imparts unique reactivity and solubility properties, making it a valuable intermediate in organic synthesis, particularly in the production of fine chemicals and pharmaceuticals. The methoxymethyl group enhances electrophilic substitution potential, while the methyl group contributes to steric and electronic effects. Its stability under mild conditions and compatibility with various reaction conditions make it suitable for use in multi-step synthetic processes. The compound is typically handled under standard laboratory conditions, requiring appropriate ventilation and protective measures due to its organic nature.
1-(methoxymethyl)-3-methylbenzene structure
7116-51-0 structure
Product Name:1-(methoxymethyl)-3-methylbenzene
CAS No:7116-51-0
MF:C9H12O
MW:136.190982818604
MDL:MFCD28361755
CID:545944
PubChem ID:10351751
Update Time:2025-10-29

1-(methoxymethyl)-3-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(methoxymethyl)-3-methyl-
    • 1-(methoxymethyl)-3-methylbenzene
    • EN300-19372404
    • QVHCCKLBSWVWQB-UHFFFAOYSA-N
    • SCHEMBL13389143
    • 7116-51-0
    • SCHEMBL12379
    • 3-Methylbenzyl alcohol, methyl ether
    • DTXSID30438453
    • MDL： MFCD28361755
    • Inchi： 1S/C9H12O/c1-8-4-3-5-9(6-8)7-10-2/h3-6H,7H2,1-2H3
    • InChI Key： QVHCCKLBSWVWQB-UHFFFAOYSA-N
    • SMILES： O(C)CC1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 136.08886
  • Monoisotopic Mass: 136.088815002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 90.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

1-(methoxymethyl)-3-methylbenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-19372404-1g
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 7116-51-0 95%
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Enamine
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Enamine
EN300-19372404-0.25g
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Enamine
EN300-19372404-0.5g
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Enamine
EN300-19372404-1.0g
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 7116-51-0 95%
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 $699.0 2023-07-06
Enamine
EN300-19372404-2.5g
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Enamine
EN300-19372404-5.0g
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