Ethyl safranate

CAS Registry Number®

35044-59-8

CAS Name

Ethyl safranate

Molecular Formula

C12H18O2

Molecular Mass

194.27

Cite this Page

Ethyl safranate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35044-59-8 (retrieved 2024-12-23) (CAS RN: 35044-59-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    93-95 °C @ Press: 11 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-7H,5,8H2,1-4H3

InChIKey

InChIKey=KYEZYLFPHRVFBF-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C(C)(C)CC=CC1C

Canonical SMILES

O=C(OCC)C1=C(C=CCC1(C)C)C

Other Names for this Substance

  • 1,3-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
  • Ethyl β-safranate
  • 2,6,6-Trimethyl-1-(ethoxycarbonyl)cyclohexa-1,3-diene
  • Ethyl safranate
  • Ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate

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