Propanoic acid, 3-[(4-methylphenyl)thio]-, ethyl ester

CAS Registry Number®

85169-05-7
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CAS Name

Propanoic acid, 3-[(4-methylphenyl)thio]-, ethyl ester

Molecular Formula

C12H16O2S

Molecular Mass

224.32

Cite this Page

Propanoic acid, 3-[(4-methylphenyl)thio]-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85169-05-7 (retrieved 2024-06-27) (CAS RN: 85169-05-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    105 °C @ Press: 0.5 Torr

  • Melting Point (2)

    56-57 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H16O2S/c1-3-14-12(13)8-9-15-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3

InChIKey

InChIKey=JHQSBVMORQJICP-UHFFFAOYSA-N

SMILES

S(CCC(OCC)=O)C1=CC=C(C)C=C1

Canonical SMILES

O=C(OCC)CCSC1=CC=C(C=C1)C

Other Names for this Substance

  • Propanoic acid, 3-[(4-methylphenyl)thio]-, ethyl ester
  • Ethyl 3-[(4-methylphenyl)thio]propanoate
  • 3-[(4-Methylphenyl)sulfanyl]propanoic acid ethyl ester

Deleted or Replaced CAS Registry Numbers

871512-76-4