Cyclandelate

CAS Registry Number®

456-59-7

CAS Name

Cyclandelate

Molecular Formula

C17H24O3

Molecular Mass

276.37

Cite this Page

Cyclandelate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=456-59-7 (retrieved 2024-11-22) (CAS RN: 456-59-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    192-194 °C @ Press: 14 Torr
  • Melting Point (1)

    50-53 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3

InChIKey

InChIKey=WZHCOOQXZCIUNC-UHFFFAOYSA-N

SMILES

O(C(C(O)C1=CC=CC=C1)=O)C2CC(C)(C)CC(C)C2

Canonical SMILES

O=C(OC1CC(C)CC(C)(C)C1)C(O)C=2C=CC=CC2

Other Names for this Substance

  • Benzeneacetic acid, α-hydroxy-, 3,3,5-trimethylcyclohexyl ester
  • Mandelic acid, 3,3,5-trimethylcyclohexyl ester
  • Cyclohexanol, 3,3,5-trimethyl-, mandelate
  • BS 572
  • Cyclandelate

Deleted or Replaced CAS Registry Numbers

28283-32-1, 54110-27-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration