1-Methylethyl 3,4,5-trimethoxybenzoate

CAS Registry Number®

6510-89-0

CAS Name

1-Methylethyl 3,4,5-trimethoxybenzoate

Molecular Formula

C13H18O5

Molecular Mass

254.28

Cite this Page

1-Methylethyl 3,4,5-trimethoxybenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6510-89-0 (retrieved 2024-11-22) (CAS RN: 6510-89-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    171-172 °C @ Press: 8 Torr

  • Melting Point (2)

    39-41 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O5/c1-8(2)18-13(14)9-6-10(15-3)12(17-5)11(7-9)16-4/h6-8H,1-5H3

InChIKey

InChIKey=WSGQQLRXHFUPKV-UHFFFAOYSA-N

SMILES

O(C)C1=C(OC)C=C(C(OC(C)C)=O)C=C1OC

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3,4,5-trimethoxy-, 1-methylethyl ester
  • Benzoic acid, 3,4,5-trimethoxy-, isopropyl ester
  • 1-Methylethyl 3,4,5-trimethoxybenzoate

CAS INSIGHTSTM
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