1,3-Propanediol, 2,2-dimethyl-, 1,3-dimethanesulfonate

CAS Registry Number®

53555-41-2
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CAS Name

1,3-Propanediol, 2,2-dimethyl-, 1,3-dimethanesulfonate

Molecular Formula

C7H16O6S2

Molecular Mass

260.33

Cite this Page

1,3-Propanediol, 2,2-dimethyl-, 1,3-dimethanesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=53555-41-2 (retrieved 2024-04-30) (CAS RN: 53555-41-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    70-72 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H16O6S2/c1-7(2,5-12-14(3,8)9)6-13-15(4,10)11/h5-6H2,1-4H3

InChIKey

InChIKey=MBBDNGMNEVIICT-UHFFFAOYSA-N

SMILES

C(COS(C)(=O)=O)(COS(C)(=O)=O)(C)C

Canonical SMILES

O=S(=O)(OCC(C)(C)COS(=O)(=O)C)C

Other Names for this Substance

  • 1,3-Propanediol, 2,2-dimethyl-, 1,3-dimethanesulfonate
  • 1,3-Propanediol, 2,2-dimethyl-, dimethanesulfonate
  • 2,2-Dimethyl-1,3-propanediol dimethanesulfonate
  • NSC 171672
  • Neopentyl glycol dimethanesulfonate

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