5-tert-Butylisophthalic acid

CAS Registry Number®

2359-09-3

CAS Name

5-tert-Butylisophthalic acid

Molecular Formula

C12H14O4

Molecular Mass

222.24

Cite this Page

5-tert-Butylisophthalic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2359-09-3 (retrieved 2024-11-24) (CAS RN: 2359-09-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    343 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)

InChIKey

InChIKey=BJLUCDZIWWSFIB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=C(C=C(C1)C(C)(C)C)C(=O)O

Other Names for this Substance

  • 1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-
  • Isophthalic acid, 5-tert-butyl-
  • 5-(1,1-Dimethylethyl)-1,3-benzenedicarboxylic acid
  • 5-tert-Butylisophthalic acid
  • 5-tert-Butyl-1,3-benzenedicarboxylic acid

View All

Deleted or Replaced CAS Registry Numbers

339064-16-3

CAS INSIGHTSTM
Hourglass and a clock