Hexanedioic acid, 1-[2,2-bis(hydroxymethyl)butyl] ester

CAS Registry Number®

20563-11-5

CAS Name

Hexanedioic acid, 1-[2,2-bis(hydroxymethyl)butyl] ester

Molecular Formula

C12H22O6

Molecular Mass

262.30

Cite this Page

Hexanedioic acid, 1-[2,2-bis(hydroxymethyl)butyl] ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20563-11-5 (retrieved 2024-12-05) (CAS RN: 20563-11-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H22O6/c1-2-12(7-13,8-14)9-18-11(17)6-4-3-5-10(15)16/h13-14H,2-9H2,1H3,(H,15,16)

InChIKey

InChIKey=VQYGZOOQRFNLFW-UHFFFAOYSA-N

SMILES

C(COC(CCCCC(O)=O)=O)(CC)(CO)CO

Canonical SMILES

O=C(O)CCCCC(=O)OCC(CO)(CO)CC

Other Names for this Substance

  • Hexanedioic acid, 1-[2,2-bis(hydroxymethyl)butyl] ester
  • Adipic acid, mono[2,2-bis(hydroxymethyl)butyl] ester
  • Hexanedioic acid, mono[2,2-bis(hydroxymethyl)butyl] ester
  • 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, mono(hydrogen adipate)
  • Trimethylolpropane monoadipate

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