Bis(3,5,5-trimethylhexyl) phthalate

CAS Registry Number®

14103-61-8

CAS Name

Bis(3,5,5-trimethylhexyl) phthalate

Molecular Formula

C26H42O4

Molecular Mass

418.61

Cite this Page

Bis(3,5,5-trimethylhexyl) phthalate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14103-61-8 (retrieved 2024-11-22) (CAS RN: 14103-61-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    202 °C @ Press: 2 Torr

  • Density (1)

    0.9635-0.9645 g/cm³ @ Temp: 25 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3

InChIKey

InChIKey=GDJOUZYAIHWDCA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OCCC(C)CC(C)(C)C)C=1C=CC=CC1C(=O)OCCC(C)CC(C)(C)C

Other Names for this Substance

  • 1,2-Benzenedicarboxylic acid, 1,2-bis(3,5,5-trimethylhexyl) ester
  • Phthalic acid, bis(3,5,5-trimethylhexyl) ester
  • 1,2-Benzenedicarboxylic acid, bis(3,5,5-trimethylhexyl) ester
  • 1-Hexanol, 3,5,5-trimethyl-, phthalate (2:1)
  • Bis(3,5,5-trimethylhexyl) phthalate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration