Cas no 53478-04-9 (dimethyl 5-bentyloxy-isophthalate)

dimethyl 5-bentyloxy-isophthalate structure
53478-04-9 structure
Product Name:dimethyl 5-bentyloxy-isophthalate
CAS No:53478-04-9
MF:C17H16O5
MW:300.305945396423
CID:938613
PubChem ID:7643390
Update Time:2025-04-19

dimethyl 5-bentyloxy-isophthalate Chemical and Physical Properties

Names and Identifiers

    • dimethyl 5-bentyloxy-isophthalate
    • Dimethyl 5-benzyloxyisophthalate
    • dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
    • 1,3-benze<wbr>
    • Dimethyl 5-(benzyloxy)isophthalate
    • AC-12329
    • G72375
    • SCHEMBL183994
    • 53478-04-9
    • DTXSID20428863
    • 5-benzyloxy-isophthalic acid dimethyl ester
    • BOQCORYQJJYJTF-UHFFFAOYSA-N
    • AKOS015960826
    • DB-319200
    • Inchi: 1S/C17H16O5/c1-20-16(18)13-8-14(17(19)21-2)10-15(9-13)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
    • InChI Key: BOQCORYQJJYJTF-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=C(C(=O)OC)C=C(C(=O)OC)C=1

Computed Properties

  • Exact Mass: 300.09978
  • Monoisotopic Mass: 300.09977361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 351
  • 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: 3.1
  • Topological Polar Surface Area: 61.8?2

Experimental Properties

  • Density: 1.201
  • Boiling Point: 432.9°C at 760 mmHg
  • Flash Point: 191.3°C
  • Refractive Index: 1.561
  • PSA: 61.83

dimethyl 5-bentyloxy-isophthalate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHENG KE LU SI SHENG WU JI SHU
sc-337673-1 g
Dimethyl 5-bentyloxy-isophthalate,
53478-04-9
1g
¥4,212.00 2023-07-11
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