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3319-31-1

Basic Information
CAS No.: 3319-31-1
Name: 1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(2-ethylhexyl) ester
Molecular Structure:
Molecular Structure of 3319-31-1 (1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(2-ethylhexyl) ester)
Formula: C33H54O6
Molecular Weight: 546.87
Synonyms: 1,2,4-Benzenetricarboxylicacid, tris(2-ethylhexyl) ester (7CI,8CI,9CI);Adekacizer TOTM;Bisoflex TOT;Diplast TM/ST;Kodaflex TOTM;Monocizer W 700;Morflex 510;Octyl trimellitate;Plasthall TOTM;Reomol OTM;Sansocizer TOTM;Staflex TOTM;TOTM;TOTM-I;Tri-2-ethylhexyl trimellitate;Trimex T 08;Tris(2-ethylhexyl) trimellitate;Uniplex 546A;
EINECS: 222-020-0
Density: 0.992 g/cm3
Melting Point: 46oC
Boiling Point: 414 °C at 760 mmHg
Flash Point: 238.3 °C
Solubility: Insoluble in water
Appearance: viscous yellow liquid
Hazard Symbols:
Risk Codes:
Safety: 24/25
Transport Information:
PSA: 78.90000
LogP: 8.80620
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  • 1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(2-ethylhexyl) ester

  • Casno:

    3319-31-1

    1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(2-ethylhexyl) ester

    Min.Order: 0

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  • Trioctyl Trimellitate (Totm)

  • Casno:

    3319-31-1

    Trioctyl Trimellitate (Totm)

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    Our clients, like BASF,CHEMO,Brenntag,ASR,Evonik,Merck and etc.Appearance:COA Storage:in stock Application:MSDS/TDS

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  • Trioctyl trimellitate

  • Casno:

    3319-31-1

    Trioctyl trimellitate

    Min.Order: 0

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  • Trioctyl trimellitate

  • Casno:

    3319-31-1

    Trioctyl trimellitate

    Min.Order: 0

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  •  Hangzhou Yierdechem Co. Ltd

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    Business Type:Other

    Tel:+86-571-86904883

    Address:903,zhijiang Minglou, Xiasha EDA, Hangzhou City 310018,P.R.China

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  • Trioctyl trimellitate

  • Casno:

    3319-31-1

    Trioctyl trimellitate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    FINETECH INDUSTRY LIMITED is a LONDON based CRO company providing drug discovery & development services to worldwide clients. FINETECH INDUSTRY LIMITED supplies the Trioctyl trimellitate, CAS:3319-31-1 with the most competitive price and the best qua

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Reported in EPA TSCA Inventory.

Specification

The IUPAC name of Tri-2-ethylhexyl trimellitate is tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate. With the CAS registry number 3319-31-1, it is also named as 1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester. The product's categories are Trimellitate (Plasticizer); Functional Materials; Plasticizer; Analytical / Chromatography; Ion Sensor Materials; Plasticizer for ISE. It is colorless or yellowish transparent oily liquid which is stable, combustible and incompatible with strong oxidizing agents. When heated to decomposition it emits acrid smoke and irritating vapors. Additionally, this chemical should be sealed in the container and stored in the ventilate and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 12.80; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.8; (4)ACD/LogD (pH 7.4): 12.8; (5)#H bond acceptors: 6; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 24; (8)Index of Refraction: 1.488; (9)Molar Refractivity: 158.73 cm3; (10)Molar Volume: 550.8 cm3; (11)Polarizability: 62.92×10-24 cm3; (12)Surface Tension: 36 dyne/cm; (13)Enthalpy of Vaporization: 66.69 kJ/mol; (14)Vapour Pressure: 4.6E-07 mmHg at 25°C; (15)Rotatable Bond Count: 24; (16)Exact Mass: 546.392039; (17)MonoIsotopic Mass: 546.392039; (18)Topological Polar Surface Area: 78.9; (19)Heavy Atom Count: 39; (20)Complexity: 677.

Uses of Tri-2-ethylhexyl trimellitate: It is used as plasticizer of PVC products and heat-resistant cable. It is also used for polyvinyl chloride, vinyl chloride copolymers, cellulose nitrate, ethyl butyrate, methyl methacrylate and other plastic.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCC(CC)CCCC)c1cc(ccc1C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
2. InChI:InChI=1/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

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 60gm/kg (60000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(5), Pg. 87, 1981.