Synonym
Diethyl terephthalate; p-Diethyl phthalate; Terephthalic acid, diethyl ester; NSC 68816; NSC-68816; NSC68816
IUPAC/Chemical Name
1,4-Benzenedicarboxylic acid, 1,4-diethyl ester
InChi Key
ONIHPYYWNBVMID-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
SMILES Code
O=C(C1=CC=C(C(OCC)=O)C=C1)OCC
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
Preparing Stock Solutions
The following data is based on the
product
molecular weight
222.24
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Liu J, Xu G, Dong W, Xu N, Xin F, Ma J, Fang Y, Zhou J, Jiang M. Biodegradation of diethyl terephthalate (DET) and polyethylene terephthalate (PET) by a novel identified degrader Delftia sp. WL-3 and its proposed metabolic pathway. Lett Appl Microbiol. 2018 Jun 1. doi: 10.1111/lam.13014. [Epub ahead of print] PubMed PMID: 29856468.
2: Benjamin S, Kamimura N, Takahashi K, Masai E. Achromobacter denitrificans SP1 efficiently utilizes 16 phthalate diesters and their downstream products through protocatechuate 3,4-cleavage pathway. Ecotoxicol Environ Saf. 2016 Dec;134P1:172-178. doi: 10.1016/j.ecoenv.2016.08.028. Epub 2016 Sep 10. PubMed PMID: 27619352.
3: Lu R, Lu F, Chen J, Yu W, Huang Q, Zhang J, Xu J. Production of Diethyl Terephthalate from Biomass-Derived Muconic Acid. Angew Chem Int Ed Engl. 2016 Jan 4;55(1):249-53. doi: 10.1002/anie.201509149. Epub 2015 Nov 23. PubMed PMID: 26592149.
4: Alin J, Hakkarainen M. Combined chromatographic and mass spectrometric toolbox for fingerprinting migration from PET tray during microwave heating. J Agric Food Chem. 2013 Feb 13;61(6):1405-15. doi: 10.1021/jf3047847. Epub 2013 Feb 5. PubMed PMID: 23343184.
5: Téllez CA, Hollauer E, Giannerini T, da Silva MI, Mondragón MA, Rodríguez JR, Castaño VM. Fourier transform infrared and Raman spectra. Semi empirical AM1 and PM3; MP2/DZV and DFT/B3LYP-6-31G(d) ab initio calculations for dimethylterephthalate (DMT). Spectrochim Acta A Mol Biomol Spectrosc. 2004 Jul;60(8-9):2171-80. PubMed PMID: 15249001.
6: Aoshima H, Hossain SJ, Imamura H, Shingai R. Effects of bisphenol A and its derivatives on the response of GABA(A) receptors expressed in Xenopus oocytes. Biosci Biotechnol Biochem. 2001 Sep;65(9):2070-7. PubMed PMID: 11676023.
