Tris(2-hydroxyethyl) Isocyanurate(THEIC) - ≥98%(N) , CAS No.839-90-7

CAS: 839-90-7 Cat. No.: T162476 Molecular Weight: 261.23 EC Number: 212-660-9 PubChem CID: 13286
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(N)
Synonyms
EINECS 212-660-9 | NSC-11680 | 1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione # | AC-11729 | F11276 | FT-0606528 | NCGC00257207-01 | Oprea1_852228 | 1,3,5-Tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione | 1,3,5-Tris(2-hydroxyethyl)isocyanuric
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25g
T162476-25g
3

$15.90

$23.90
Save $8.00 (33.47%)
100g
T162476-100g
4

$21.90

$32.90
Save $11.00 (33.43%)
500g
T162476-500g
2

$42.90

$64.90
Save $22.00 (33.90%)
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Why this grade

≥98%(N) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
EINECS 212-660-9 | NSC-11680 | 1, 3, 5-Tris(2-hydroxyethyl)-1, 3, 5-triazinane-2, 4, 6-trione # | AC-11729 | F11276 | FT-0606528 | NCGC00257207-01 | Oprea1_852228 | 1, 3, 5-Tris(2-hydroxyethyl)-1, 3, 5-triazinane-2, 4, 6-trione | 1, 3, 5-Tris(2-hydroxyethyl)isocyanuric
Specifications & Purity
≥98%(N)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(N)
Names and Identifiers
Pubchem Sid488181829
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181829
Canonical SmilesC(CO)N1C(=O)N(C(=O)N(C1=O)CCO)CCO
IUPAC Name1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
InChIKeyBPXVHIRIPLPOPT-UHFFFAOYSA-N
INCHI1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2
Isomeric SMILES C(CO)N1C(=O)N(C(=O)N(C1=O)CCO)CCO
WGK Germany 3
PubChem CID 13286
Molecular Weight 261.23
Reaxy-Rn 622642

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassTriazines
SubclassTriazinones
Intermediate Tree Nodes Not available
Direct ParentTriazinones
Alternative Parents 1,3,5-triazines  Heteroaromatic compounds  Ureas  Azacyclic compounds  Alkanolamines  Primary alcohols  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Triazinone - 1,3,5-triazine - Heteroaromatic compound - Urea - Alkanolamine - Azacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

14 results found

Lot NumberCertificate TypeDateItem
B2222280Certificate of AnalysisDec 16, 2025 T162476
B2222281Certificate of AnalysisDec 16, 2025 T162476
B2222290Certificate of AnalysisDec 16, 2025 T162476
C2505659Certificate of AnalysisFeb 22, 2025 T162476
C2505661Certificate of AnalysisFeb 22, 2025 T162476
C2505662Certificate of AnalysisFeb 22, 2025 T162476
C2505667Certificate of AnalysisFeb 22, 2025 T162476
C2517561Certificate of AnalysisFeb 22, 2025 T162476
C2517562Certificate of AnalysisFeb 22, 2025 T162476
D2121376Certificate of AnalysisFeb 07, 2025 T162476
L1825146Certificate of AnalysisOct 18, 2022 T162476
B2222282Certificate of AnalysisJan 10, 2022 T162476
I2403041Certificate of AnalysisJan 10, 2022 T162476
I2423629Certificate of AnalysisJan 10, 2022 T162476

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Chemical and Physical Properties
SolubilitySolubility in water: Completely soluble; Degree of Solubility in water: 1,190 g/l 25 °C; Slightly soluble in Acetone,Alcohol; Insoluble in Chloroform,Benzene
Flash Point(°F)465.8 °F
Flash Point(°C)241 °C
Melt Point(°C)136 °C
Molecular Weight261.230 g/mol
XLogP3-2.700
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass261.096 Da
Monoisotopic Mass261.096 Da
Topological Polar Surface Area122.000 Ų
Heavy Atom Count18
Formal Charge0
Complexity271.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Jialian Chen, Chi Zhang, Weixi Chen, Jinling Liu, Denglong Chen.  (2023)  Excellent electrochemical performance of porous carbon by in situ nitrogen-doped derived from polyurethane.  Materials Science and Engineering B-Advanced Functional Solid-State Materials,      [PMID:] [10.1016/j.mseb.2023.116610]
2. Kang Zhang, Yan Wang, Yuling Xiao, Yapeng Zheng, Jingyi Lu, Chao Ma, Yuan Hu.  (2022)  Fabrication of a highly-efficient phosphorus-silicon-containing transparent coating to improve fire safety of poly(methyl methacrylate).  COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING,      [PMID:] [10.1016/j.compositesa.2022.107004]
3. Fansen Meng, Yiyin Yang, Kaiwen Shen, Donglin Tang.  (2024)  Flame retarded polyurethane vitrimers containing isocyanurate rings: Synthesis and properties.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.55403]
4. Zhicheng Bai, Feixiang Yin, Jiahao Shen, JinJia Xu, Fengqing Chen, Teng Huang, Hufeng Li, Dan Xie, Yi An, Wenbiao Zhang, Jinfeng Dai.  (2024)  One-pot solvent-free green strategy to fabricate ultra-efficient polyphosphoester flame retardant for Poly(Lactic acid).  COMPOSITES PART B-ENGINEERING,      [PMID:] [10.1016/j.compositesb.2024.111236]
5. Shaopei Jia, Yanfeng Gao, Xiaofei Ma, Quan Huang, Qian Zhang, Xiaozhe Cheng, Qisong Li, Yan Zhang, Wei Cheng, Menghui Liu, Yunchao Mu.  (2024)  Synchronously anchoring of Ni12P5–Ni2P heterojunction nanoparticles in the 3D graphene composite bonded by N–P co-doped porous carbon as an efficient bifunctional catalyst for alkaline water splitting.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2024.02.313]
6. Zehua Zhuo, Rui Wang, Shaoyun Chen, Jianhong Gao, Cuifang Cai, Yanyu Zheng, Xiaoying Liu, Bo Qu, Qinghui Chen, Dongxian Zhuo.  (2025)  A novel robust and flame-retardant photosensitive branched prepolymer for 3D stereolithography printing.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.128786]
7. Hao Yu, Guoqing Liu, Hao Jia, Tao Zhu, Xinxin Dong, Wei Liu, Xiaoyu Gu, Shuheng Wang, Sheng Zhang.  (2025)  Development of stable electrode-electrolyte interfaces with multifunctional flame-retardant microspheres for safe, high-voltage, and high-energy-density lithium batteries.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2025.118306]
8. Shaopei Jia, Xiaofei Ma, Yanfeng Gao, Yunfei Cao, Haijiao Hu, Wentao Liu, Qian Zhang, Quan Huang, Meng Song, Kongyao Chen, Yunchao Mu.  (2025)  Domain-limited anchoring of nano-Co2P on carbon cloth fibers by in-situ carbonization as a high-stability self-supporting electrode for hydrogen evolution reaction.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2025.180450]
9. Dongyu Hou, Wenchao Zhang, Baichuan Jia, Mingze Zhang, Yuanhang Yao, Ji Liu, Rui Zhang, Qiang Fu, Dong Yue, Yu Feng.  (2025)  Synergistic enhancement of flame retardancy, insulation, and mechanical properties of epoxy resin composite via a triazine-rich phosphonitrile microcapsule core-shell filler design.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.129288]
10. Liping Yuan, Shiyan Zhang, Jiajing Yu, Yi Sun, Youhua Fan, Jianzheng Qiao, Zizhi Huang.  (2026)  In-Situ synthesis of a self-developed phosphorus-nitrogen flame retardant in wood for superior and durable fire safety.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2026.122671]
11. Xiaohan Liu, Qi Wang, Minzhi Chen, Juya Zhu, Guohang Zhang, Xiaoyan Zhou.  (2026)  An effective strategy to enhance the flame retardancy and mechanical properties of urea-formaldehyde resin by using an aromatic-triazine structure hyperbranched flame retardant.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.174505]
Solution Calculators
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