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
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 |
