Cyclandelate
CAS Registry Number®
456-59-7
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CAS Name
CyclandelateMolecular Formula
C17H24O3Molecular Mass
276.37Cite this Page
Cyclandelate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=456-59-7 (retrieved ) (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 TorrMelting 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
