Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Dibutyl terephthalate
RN: 1962-75-0
UNII: 7O6SH6VN97
InChIKey: LQLQDKBJAIILIQ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C16-H22-O4

Molecular Weight

  • 278.346
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Dibutyl terephthalate

Synonyms

  • 1,4-Benzenedicarboxylic acid, dibutyl ester
  • 4-09-00-03305 (Beilstein Handbook Reference)
  • AI3-11048
  • BRN 2137106
  • Dibutyl terephthalate
  • EC 217-803-9
  • EINECS 217-803-9
  • NSC 6349
  • UNII-7O6SH6VN97

Systematic Names

  • 1,4-Benzenedicarboxylic acid, 1,4-dibutyl ester
  • 1,4-Benzenedicarboxylic acid, dibutyl ester
  • Dibutyl terephthalate
  • Terephthalic acid, dibutyl ester

Registry Numbers

CAS Registry Number

  • 1962-75-0

FDA UNII

  • 7O6SH6VN97

System Generated Number

  • 0001962750

Structure Descriptors

InChI

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

InChIKey

LQLQDKBJAIILIQ-UHFFFAOYSA-N

Smiles

c1(C(OCCCC)=O)ccc(C(OCCCC)=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
log P (octanol-water) 5.53 (none)   EXP
Water Solubility 0.95 mg/L 25 EXP
Vapor Pressure 2.55E-04 mm Hg 25 EST
Henry's Law Constant 1.22E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.28E-12 cm3/molecule-sec 25 EST

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