Diethyl terephthalate | CAS#636-09-9 | polyester production

Diethyl terephthalate
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 591814

CAS#: 636-09-9

Description: Diethyl terephthalate is used in the production of polyesters.

Chemical Structure

Diethyl terephthalate

CAS# 636-09-9

Instruction

Theoretical Analysis

MedKoo Cat#: 591814
Name: Diethyl terephthalate
CAS#: 636-09-9
Chemical Formula: C12H14O4
Exact Mass: 222.09
Molecular Weight: 222.240
Elemental Analysis: C, 64.85; H, 6.35; O, 28.80

Price and Availability

Size	Price	Availability	Quantity
25g	USD 350	2 weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: Diethyl terephthalate; 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

Appearance: Solid powder

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

More Info:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

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

Formulation protocol:
In vitro protocol:
In vivo protocol:

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*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

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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.

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Diethyl terephthalate featured