TOTM

Product Information

Molecular Formula:
C33H54O6
Molecular Weight:
546.78
Description
PlasticizerHardening agent for coatings.
Synonyms
1,2,4-benzenetricarboxyulicacid,tris(2-ethylhexyl)ester; 2-Ethylhexyl trimellitate; hatcol200; Kodaflex TOTM; kodaflextotm; monosizerw710l; morflex510; Palatinol TOTM
IUPAC Name
tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
Canonical SMILES
CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
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
Boiling Point
414 °C
Melting Point
46°C
Flash Point
505.4 °F
Purity
>95.0%(GC)
Density
0.98
Solubility
water, 4.511e-008 mg/L @ 25 °C (est)
Appearance
Yellow oily liquid.
Application
Used as plasticizer.
Storage
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Refractive Index
n20/D 1.485 (lit.)
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
LogP
log Kow = 5.94
Vapor Pressure
3.8X10-6 mm Hg at 25 °C (est)
Henry's Law Constant
4.45X10-7 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition it emits acrid smoke and irritating vapors.

Computed Properties

XLogP3
10.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
24
Exact Mass
546.39203944 g/mol
Monoisotopic Mass
546.39203944 g/mol
Topological Polar Surface Area
78.9Ų
Heavy Atom Count
39
Formal Charge
0
Complexity
677
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
3
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114133786-A Crack-resistant solder-resist hole plugging ink and preparation method thereof 2022-01-19
CN-113963305-A Video key frame and close-up segment extraction method 2021-12-21
CN-113963305-B Video key frame and close-up segment extraction method 2021-12-21
CN-114188071-A Thermosetting conductive slurry and preparation method and application thereof 2021-12-10
CN-113956586-A Cold-resistant-40 ℃ heat-resistant 90 ℃ PVC special sheath material and preparation method thereof 2021-11-25
CN-114084498-A Environment-friendly moisture-proof packaging bag for desiccant and preparation method thereof 2021-11-23
CN-114106487-A Low-noise high-wear-resistance PVC (polyvinyl chloride) elastomer material as well as preparation method and application thereof 2021-11-23
CN-113831310-A Method for synthesizing 1, 2, 4-cyclohexane tricarbamic acid anhydride by catalytic hydrogenation of trimellitic anhydride 2021-11-10
CN-113881168-A Reusable composition for mold and mold manufacturing method 2021-11-09
CN-113881166-A Multifunctional paste and preparation method thereof 2021-11-03

Literatures

PMID Publication Date Title Journal
35089383 2022-03-01 In vitro and in silico approach to study the hormonal activities of the alternative plasticizer tri-(2-ethylhexyl) trimellitate TEHTM and its metabolites Archives of toxicology
33049310 2021-04-01 Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment Toxicology in vitro : an international journal published in association with BIBRA
21311501 2011-08-01 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
20092073 2009-12-01 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
20592772 2009-07-01 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
18976460 2008-10-31 Structure-activity relationship of immunostimulatory effects of phthalates BMC immunology
18821250 2008-10-01 Molecular modelling of phthalates - PPARs interactions Journal of enzyme inhibition and medicinal chemistry
18502595 2008-08-06 Determination of tris(2-ethylhexyl)trimellitate released from PVC tube by LC-MS/MS International journal of pharmaceutics
16756374 2006-06-14 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
15318851 2004-09-01 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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