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Trioctyl trimellitate - 97%, high purity , CAS No.3319-31-1

    Grade & Purity:
  • ≥97%
In stock
Item Number
T107253
Grouped product items
SKU Size
Availability
Price Qty
T107253-100ml
100ml
2
$10.90
T107253-500ml
500ml
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$38.90

Plasticizer that was evaluated for endocrine disrupting activities through estrogen receptor alpha binding assay.

Basic Description

Synonyms 1,2,4-BENZENETRICARBOXYLIC ACID TRI(2-ETHYLHEXYL)ESTER | Trimellitic Acid Tris(2-ethylhexyl) Ester | SCHEMBL34167 | TRIS(2-ETHYLHEXYL) TRIMELLITATE [HSDB] | Tris(2-ethylhexyl)trimellitate | EC 222-020-0 | tri(2-ethyl hexyl) trimellitate | 1,2,4-Benzenetri
Specifications & Purity ≥97%
Biochemical and Physiological Mechanisms Plasticizer that was evaluated for endocrine disrupting activities through estrogen receptor alpha binding assay. Has no affinity for ERalpha.
Shipped In Normal
Note Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Benzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct Parent Benzoic acid esters
Alternative Parents Tricarboxylic acids and derivatives  Benzoyl derivatives  Carboxylic acid esters  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Benzoate ester - Tricarboxylic acid or derivatives - Benzoyl - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors Not available

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504752902
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504752902
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
InChIKey KRADHMIOFJQKEZ-UHFFFAOYSA-N
Smiles CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
Isomeric SMILES CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
WGK Germany 1
RTECS DC2080000
PubChem CID 18725
Molecular Weight 546.78
Beilstein 2683525
Reaxy-Rn 2683525

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
I2304491 Certificate of Analysis Aug 17, 2023 T107253
I2304503 Certificate of Analysis Aug 17, 2023 T107253
I2304504 Certificate of Analysis Aug 17, 2023 T107253
F1801034 Certificate of Analysis Apr 22, 2022 T107253

Chemical and Physical Properties

Refractive Index 1.485-1.487
Flash Point(°F) 263 °C
Flash Point(°C) 263°C
Boil Point(°C) 414°C
Molecular Weight 546.800 g/mol
XLogP3 10.400
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 24
Exact Mass 546.392 Da
Monoisotopic Mass 546.392 Da
Topological Polar Surface Area 78.900 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 677.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Citations of This Product

1. Yu Huang, Hongjun Hu, Lixun Zhang, Guoqing Yi, Songhong Yu, Zhaohui Wang, Zhaoliang Cui, Shuaifei Zhao.  (2023)  Hydrophobic Membrane for Water Recovery from Humid Gas by Membrane Condenser: Effects of Membrane Properties on Recovered Water Quality.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,  62  (19): (7599–7609). 
2. Wen Bo, Dai Yuguo, Han Xue, Huo Fangjun, Xie Li, Yu Mei, Wang Yuru, An Ning, Li Zhonghan, Guo Weihua.  (2023)  Biomineralization-inspired mineralized hydrogel promotes the repair and regeneration of dentin/bone hard tissue.  npj Regenerative Medicine,  (1): (1-21). 
3. Xiaoyu Han, Shuyu Chen, Zhengwei Cai, Ying Zhu, Weiwei Yi, Mengtong Guan, Bo Liao, Ying Zhang, Jieliang Shen, Wenguo Cui, Dingqun Bai.  (2023)  A Diagnostic and Therapeutic Hydrogel to Promote Vascularization via Blood Sugar Reduction for Wound Healing.  ADVANCED FUNCTIONAL MATERIALS,  33  (14): (2213008). 
4. Bo Chen, Jibing Wang, Xing Jin, Xin Wang, Zhangling Fan, Yuxin Zhang, Xuehan Sang, Zhaoxiang Meng.  (2023)  Rapamycin incorporating hydrogel improves the progression of osteoarthritis by inducing synovial macrophages polarization and reducing intra-articular inflammation.  MATERIALS & DESIGN,  225  (111542). 
5. Wan Ting Sow, Yili Wang, Liping Chen, Qiling Lai, Qiong Chen, Linjie Chen, Chunwu Zhang, Huaqiong Li.  (2022)  Freeze-Casted Keratin Matrix as an Organic Binder to Integrate Hydroxyapatite and BMP2 for Enhanced Cranial Bone Regeneration.  Advanced Healthcare Materials,    (2201886). 
6. Songhong Yu, Yu Huang, Lixun Zhang, Qian Wang, Zhaohui Wang, Zhaoliang Cui, Enrico Drioli.  (2022)  ECTFE Membrane Fabrication Using Green Binary Diluents TEGDA/TOTM and Its Performance in Membrane Condenser.  Membranes,  12  (8): (757). 
7. Yaping Gan, Yan Zhu.  (2022)  Multi-Residue Analysis of Chemical Additives in Edible Vegetable Oils Using QuEChERS Extraction Method Followed by Supercritical Fluid Chromatography.  MOLECULES,  27  (5): (1681). 
8. Cong Liu, Daixin Huang, Liuqian Yang, Shifan Wu, Xiantao Shen, Stig Pedersen-Bjergaard, Chuixiu Huang.  (2021)  Removal of Polymerase Chain Reaction Inhibitors by Electromembrane Extraction.  ANALYTICAL CHEMISTRY,  93  (33): (11488–11496). 
9. Xiaonan Deng, Sihong Ye, Kun Liu, Changfeng Li, Fangzhi Liu, Xiaoming Yan.  (2020)  Permeability of N, P, K-fertilizer nutrient and water vapor through PLA, PLA/PS, and PLA/HA membranes.  Polish Journal of Chemical Technology,  22  (4): (61-68). 
10. Peng He, Jianyu Zhu, Yaozong Chen, Fang Chen, Jinglei Zhu, Mengfei Liu, Ke Zhang, Min Gan.  (2021)  Pyrite-activated persulfate for simultaneous 2,4-DCP oxidation and Cr(VI) reduction.  CHEMICAL ENGINEERING JOURNAL,  406  (126758). 
11. Xiao-Cheng Liu, Chuan-Shu He, Zi-Yang Shen, Wen-Qiang Li, Ning Chen, Jun-Sheng Song, Xiao-Guo Zhou, Yang Mu.  (2020)  Mechanistic study of Fe(III) chelate reduction in a neutral electro-Fenton process.  APPLIED CATALYSIS B-ENVIRONMENTAL,  278  (119347). 
12. Erwei Pang, Weijun Liu, Shuhua Zhang, Nengshuo Fu, Zhongxun Tian.  (2020)  Characteristics of Low-Temperature Polyvinyl Chloride Carbonization by Catalytic CuAl Layered Double Hydroxide.  Processes,  (1): (120). 
13. Guanghui Hou, Junmin Qian, Weijun Xu, Tiantian Sun, Yaping Wang, Jinlei Wang, Lijie Ji, Aili Suo.  (2019)  A novel pH-sensitive targeting polysaccharide-gold nanorod conjugate for combined photothermal-chemotherapy of breast cancer.  CARBOHYDRATE POLYMERS,  212  (334). 
14. Wang Jiasheng, Hui Ni.  (2018)  A nonfouling voltammetric immunosensor for the carcinoembryonic antigen based on the use of polyaniline nanowires wrapped with hyaluronic acid.  MICROCHIMICA ACTA,  185  (7): (1-9). 
15. Liang Du, Shicheng Li, Xiaolong Li, Ping Wang, Zhaoya Huang, Zhaoyi Tan, Chunli Liu, Jiali Liao, Ning Liu.  (2017)  Effect of humic acid on uranium(VI) retention and transport through quartz columns with varying pH and anion type.  JOURNAL OF ENVIRONMENTAL RADIOACTIVITY,  177  (142). 
16. Hao Liu, Ke Li, Lan Lan, Jingwen Ma, Yun Zeng, Liang Xu, Daocheng Wu.  (2014)  Double-layered hyaluronic acid/stearic acid-modified polyethyleneimine nanoparticles encapsulating (−)-gossypol: a nanocarrier for chiral anticancer drugs.  Journal of Materials Chemistry B,  (32): (5238-5248). 
17. Ying Wang, Xintong Dong, Lin Ma, Mingjin Fan.  (2024)  Facilitating Investigations of Sustainable Ester Oils: Lubricating Performance, Phytotoxicity Indicators, and Their Structure–Activity Relationship.  ACS Sustainable Chemistry & Engineering,  12  (7): (2790-2801). 
18. Bingzhe Dong, Jian Guo, Guangqiang Xu, Hongbin Hou, Rulin Yang, Xuanhua Guo, Qinggang Wang.  (2024)  Trash into treasure: Chemical upcycling of poly(ɛ-caprolactone) waste plastic to plasticizer with excellent plasticizing performance and migration resistance.  Sustainable Materials and Technologies,  39  (e00823). 

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