1,4-Butanediol, 1,4-dibenzoate

CAS Registry Number®

19224-27-2

CAS Name

1,4-Butanediol, 1,4-dibenzoate

Molecular Formula

C18H18O4

Molecular Mass

298.33

Cite this Page

1,4-Butanediol, 1,4-dibenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19224-27-2 (retrieved 2024-11-28) (CAS RN: 19224-27-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    80-81 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H18O4/c19-17(15-9-3-1-4-10-15)21-13-7-8-14-22-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2

InChIKey

InChIKey=YHOWYTOWCBNTHB-UHFFFAOYSA-N

SMILES

C(OCCCCOC(=O)C1=CC=CC=C1)(=O)C2=CC=CC=C2

Canonical SMILES

O=C(OCCCCOC(=O)C=1C=CC=CC1)C=2C=CC=CC2

Other Names for this Substance

  • 1,4-Butanediol, 1,4-dibenzoate
  • 1,4-Butanediol, dibenzoate
  • Tetramethylene benzoate
  • Tetramethylene dibenzoate
  • 1,4-Butylene dibenzoate

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