Neopentyl glycol dibenzoate

CAS Registry Number®

4196-89-8
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CAS Name

Neopentyl glycol dibenzoate

Molecular Formula

C19H20O4

Molecular Mass

312.36

Cite this Page

Neopentyl glycol dibenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4196-89-8 (retrieved 2024-05-04) (CAS RN: 4196-89-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    49 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C19H20O4/c1-19(2,13-22-17(20)15-9-5-3-6-10-15)14-23-18(21)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3

InChIKey

InChIKey=DYJIIMFHSZKBDY-UHFFFAOYSA-N

SMILES

C(OCC(COC(=O)C1=CC=CC=C1)(C)C)(=O)C2=CC=CC=C2

Canonical SMILES

O=C(OCC(C)(C)COC(=O)C=1C=CC=CC1)C=2C=CC=CC2

Other Names for this Substance

  • 1,3-Propanediol, 2,2-dimethyl-, 1,3-dibenzoate
  • 1,3-Propanediol, 2,2-dimethyl-, dibenzoate
  • 2,2-Dimethyltrimethylene benzoate
  • Neopentyl glycol dibenzoate
  • Benzoflex S 312

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