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Substance Name: Terephthalic acid, diisobutyl ester
RN: 18699-48-4
InChIKey: LQKWPGAPADIOSS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-O4

Molecular Weight

  • 278.346
 
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Names and Synonyms

Synonyms

  • 1,4-Benzenedicarboxylic acid, bis(2-methylpropyl) ester
  • 4-09-00-03305 (Beilstein Handbook Reference)
  • BRN 2467978
  • EINECS 242-512-9

Systematic Names

  • Diisobutyl terephthalate
  • Terephthalic acid, diisobutyl ester

Registry Numbers

CAS Registry Number

  • 18699-48-4

System Generated Number

  • 0018699484

Structure Descriptors

InChI

1S/C16H22O4/c1-11(2)9-19-15(17)13-5-7-14(8-6-13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3

InChIKey

LQKWPGAPADIOSS-UHFFFAOYSA-N

Smiles

c1(C(OCC(C)C)=O)ccc(C(OCC(C)C)=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1392mg/kg (1392mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
Journal of Pharmaceutical Sciences. Vol. 56, Pg. 1446, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 55 deg C   EXP
log P (octanol-water) 4.460 (none)   EST
Atmospheric OH Rate Constant 9.26E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.