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Ethylene Terephthalate Cyclic Trimer , CAS No.7441-32-9

COA

Grade & Purity:

≥98%

Cas Number: 7441-32-9
Molecular Weight: 576.5
PubChem CID: 15089684
PubChem SID: 504767770

In stock

Item Number

E357179

Grouped product items
SKU	Size	Availability	Price	Qty
E357179-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$294.90
E357179-5mg	5mg	2	$1,029.90

Basic Description

Synonyms	DTXSID801017127 \| AS-62535 \| 3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.2?,(1)(1).2(1)?,(2)(1)]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaene-2,7,12,17,22,27-hexone \| 3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(31),8,10,18(34),
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Ethylene Terephthalate Cyclic Trimer polymerizes into poly(ethylene terephthalate) (PET). Ethylene Terephthalate Cyclic Trimer can be used as a migration indicator of microwave and oven-active materials into foods and simulants. Ethylene Terephthalate Cyclic Trimer is also known as PET Cyclic Trimer, Cyclotris(ethylene glycol terephthalate), Ethylene glycol-terephthalic acid cyclic trimer, and Tris ethylene terephthalate. Applications： Ethylene Terephthalate Cyclic Trimer can be used as migration indicators into foods and simulants, for microwave-active materials

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Phthalic acid and derivatives
        Level6 Phthalate esters
        Level7 p-Phthalate esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives - Phthalate esters
Direct Parent	p-Phthalate esters
Alternative Parents	P-phthalic acid and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Para-phthalic acid ester - Para_phthalic_acid - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504767770
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767770
IUPAC Name	3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(31),8,10,18(34),19,21(33),28(32),29,35-nonaene-2,7,12,17,22,27-hexone
INCHI	InChI=1S/C30H24O12/c31-25-19-1-2-20(4-3-19)26(32)38-15-16-40-28(34)22-9-11-24(12-10-22)30(36)42-18-17-41-29(35)23-7-5-21(6-8-23)27(33)39-14-13-37-25/h1-12H,13-18H2
InChIKey	IICRGUKQYYOPIG-UHFFFAOYSA-N
Smiles	C1COC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C3=CC=C(C=C3)C(=O)OCCOC(=O)C4=CC=C(C=C4)C(=O)O1
Isomeric SMILES	C1COC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C3=CC=C(C=C3)C(=O)OCCOC(=O)C4=CC=C(C=C4)C(=O)O1
Molecular Weight	576.5
Reaxy-Rn	75056
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=75056&ln=

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Lot Number	Certificate Type	Date	Item
A2309609	Certificate of Analysis	Dec 30, 2022	E357179

Chemical and Physical Properties

Molecular Weight	576.500 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	0
Exact Mass	576.127 Da
Monoisotopic Mass	576.127 Da
Topological Polar Surface Area	158.000 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	767.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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