1-(1-Methylheptyl) 1,2-benzenedicarboxylate

CAS Registry Number®

68296-97-9

CAS Name

1-(1-Methylheptyl) 1,2-benzenedicarboxylate

Molecular Formula

C16H22O4

Molecular Mass

278.34

Cite this Page

1-(1-Methylheptyl) 1,2-benzenedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21395-09-5 (retrieved 2025-03-10) (CAS RN: 68296-97-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    72.4-73.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H22O4/c1-3-4-5-6-9-12(2)20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)

InChIKey

InChIKey=DUJBEEUYBSLMGM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=CC=CC1C(=O)OC(C)CCCCCC

Other Names for this Substance

  • 1,2-Benzenedicarboxylic acid, 1-(1-methylheptyl) ester
  • 1,2-Benzenedicarboxylic acid, mono(1-methylheptyl) ester
  • 1,2-Benzenedicarboxylic acid, mono(1-methylheptyl) ester, (±)-
  • 1-(1-Methylheptyl) 1,2-benzenedicarboxylate
  • (±)-Mono-2-octyl phthalate

View All

Deleted or Replaced CAS Registry Numbers

21395-09-5

CAS INSIGHTSTM
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