Thymyl isobutyrate

CAS Registry Number®

5451-67-2

CAS Name

Thymyl isobutyrate

Molecular Formula

C14H20O2

Molecular Mass

220.31

Cite this Page

Thymyl isobutyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5451-67-2 (retrieved 2024-12-19) (CAS RN: 5451-67-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    130-131 °C

  • Melting Point (1)

    47-49 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H20O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h6-10H,1-5H3

InChIKey

InChIKey=HTPVUEJWIFHSCK-UHFFFAOYSA-N

SMILES

O(C(C(C)C)=O)C1=C(C(C)C)C=CC(C)=C1

Canonical SMILES

O=C(OC1=CC(=CC=C1C(C)C)C)C(C)C

Other Names for this Substance

  • Propanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester
  • Isobutyric acid, thymyl ester
  • Thymol, isobutyrate
  • Thymyl isobutyrate
  • NSC 21848

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