Propanoic acid, 3-[(4-methylphenyl)thio]-, ethyl ester
CAS Registry Number®
85169-05-7
CAS Name
Propanoic acid, 3-[(4-methylphenyl)thio]-, ethyl esterMolecular Formula
C12H16O2SMolecular Mass
224.32Cite 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 ) (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 TorrMelting Point (2)
56-57 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
- (2) Xu, Xiao Bo; Journal of Chemical Research, (2009), (12), 750-752, CAplus
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
