200,000+ products from a single source!
sales@angenechem.com
3319-31-1 | Trioctyl benzene-1,2,4-tricarboxylate
CAS No: 3319-31-1 Catalog No: AG003V75 MDL No:MFCD00053799
Product Description
Catalog Number:
AG003V75
Chemical Name:
Trioctyl benzene-1,2,4-tricarboxylate
CAS Number:
3319-31-1
Molecular Formula:
C33H54O6
Molecular Weight:
546.7783
MDL Number:
MFCD00053799
IUPAC Name:
tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
InChI:
InChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3
InChI Key:
KRADHMIOFJQKEZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCC)C(=O)OCCCCCCCC
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
546.392g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
546.789g/mol
Monoisotopic Mass:
546.392g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
Literature
| Title | Journal |
|---|---|
| A review of alternatives to di (2-ethylhexyl) phthalate-containing medical devices in the neonatal intensive care unit. | Journal of perinatology : official journal of the California Perinatal Association 20110801 |
| The effect of priming solutions and storage time on plasticizer migration in different PVC tubing types--implications for wet storage of ECMO systems. | The journal of extra-corporeal technology 20090701 |
| Phthalate esters used as plasticizers in packed red blood cell storage bags may lead to progressive toxin exposure and the release of pro-inflammatory cytokines. | Oxidative medicine and cellular longevity 20090101 |
| Molecular modelling of phthalates - PPARs interactions. | Journal of enzyme inhibition and medicinal chemistry 20081001 |
| Determination of tris(2-ethylhexyl)trimellitate released from PVC tube by LC-MS/MS. | International journal of pharmaceutics 20080806 |
| Structure-activity relationship of immunostimulatory effects of phthalates. | BMC immunology 20080101 |
| Estrogenic potency of food-packaging-associated plasticizers and antioxidants as detected in ERalpha and ERbeta reporter gene cell lines. | Journal of agricultural and food chemistry 20060614 |
| Increasing hemoglobin oxygen saturation levels in sickle trait donor whole blood prevents hemoglobin S polymerization and allows effective white blood cell reduction by filtration. | Transfusion 20040901 |
| Lack of sensitization for trimellitate, phthalate, terephthalate and isobutyrate plasticizers in a human repeated insult patch test. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20030401 |
| Comparative study of the leachability of di(2-ethylhexyl) phthalate and tri(2-ethylhexyl) trimellitate from haemodialysis tubing. | International journal of pharmaceutics 20011023 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.