Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Tri-n-octyl trimellitate
RN: 89-04-3
UNII: 9GPJ04URH3
InChIKey: JNXDCMUUZNIWPQ-UHFFFAOYSA-N

Note

  • Authors commonly refer to tri-(2-ethylhexyl) trimellitate as this cpd.

Molecular Formula

  • C33-H54-O6

Molecular Weight

  • 546.7836
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Tri-n-octyl trimellitate
  • Trioctyl trimellitate

Synonyms

  • EC 201-877-4
  • EINECS 201-877-4
  • HSDB 5263
  • PX 338
  • TOTM
  • Trimex N 08
  • Trioctyl trimellitate
  • UNII-9GPJ04URH3

Systematic Names

  • 1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl ester
  • 1,2,4-Benzenetricarboxylic acid, trioctyl ester
  • Trioctyl benzene-1,2,4-tricarboxylate

Superlist Names

  • Benzene tricarboxylic acid, trioctyl ester
  • Tri-n-octyl trimellitate

Registry Numbers

CAS Registry Number

  • 89-04-3

FDA UNII

  • 9GPJ04URH3

Other Registry Numbers

  • 39373-94-9
  • 76929-92-5
  • 82249-09-0

System Generated Number

  • 0000089043

Structure Descriptors

InChI

1S/C33H54O6/c1-4-7-10-13-16-19-24-37-31(34)28-22-23-29(32(35)38-25-20-17-14-11-8-5-2)30(27-28)33(36)39-26-21-18-15-12-9-6-3/h22-23,27H,4-21,24-26H2,1-3H3

InChIKey

JNXDCMUUZNIWPQ-UHFFFAOYSA-N

Smiles

CCCCCCCCOC(=O)c1ccc(c(c1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 11.81 (none)   EST
Water Solubility 2.92E-08 mg/L 25 EST
Vapor Pressure 5.30E-12 mm Hg 25 EST
Henry's Law Constant 5.53E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.07E-11 cm3/molecule-sec 25 EST

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