Tris(2-butoxyethyl) Phosphate - ≥95%(GC) , CAS No.78-51-3

CAS: 78-51-3 Cat. No.: T162661 Molecular Weight: 398.48 EC Number: 201-122-9 PubChem CID: 6540
AVAILABLE TO ORDER
GRADE & PURITY ≥95%(GC)
Synonyms
NSC4839 | NSC-4839 | tris-2-butoxyethyl phosphate | Tris-(2-butoxyethyl)fosfat [Czech] | Tris-(2-butoxyethyl)fosfat | Ethanol, 2-butoxy-, 1,1',1''-phosphate | 2-Butoxyethanol phosphate (3:1) | 2-Butoxy-ethanol phosphate (3:1) | Amgard TBEP | Phosphoric ac
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
5g
T162661-5g
3
$9.90
25g
T162661-25g
2
$22.90
100g
T162661-100g
2
$44.90
500g
T162661-500g
2
$82.90
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Why this grade

≥95%(GC) 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Product Introduction

Tris(2-butoxyethyl) phosphate is an organic flame retardant. It shows PXR agonistic activity. Tris(2-butoxyethyl) phosphate was detected and quantified during the analysis of herring gull eggs by liquid chromatography-electrospray ionization(+)-tandem mass spectrometry.

Specifications

Synonyms
NSC4839 | NSC-4839 | tris-2-butoxyethyl phosphate | Tris-(2-butoxyethyl)fosfat [Czech] | Tris-(2-butoxyethyl)fosfat | Ethanol, 2-butoxy-, 1, 1', 1''-phosphate | 2-Butoxyethanol phosphate (3:1) | 2-Butoxy-ethanol phosphate (3:1) | Amgard TBEP | Phosphoric ac
Specifications & Purity
≥95%(GC)
Storage
Room temperature
Shipped In
Normal
Purity
≥95%(GC)
Names and Identifiers
Pubchem Sid504751115
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751115
Canonical SmilesCCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
IUPAC Nametris(2-butoxyethyl) phosphate
InChIKeyWTLBZVNBAKMVDP-UHFFFAOYSA-N
INCHI1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
Isomeric SMILES CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
WGK Germany 1
RTECS KJ9800000
PubChem CID 6540
Molecular Weight 398.48
Reaxy-Rn 1716010

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
SuperclassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
SubclassPhosphate esters
Intermediate Tree Nodes Alkyl phosphates
Direct ParentTrialkyl phosphates
Alternative Parents Dialkyl ethers  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Trialkyl phosphate - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as trialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly three alkyl chains.
External Descriptors trialkyl phosphate
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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.

12 results found

Lot NumberCertificate TypeDateItem
B2209206Certificate of AnalysisNov 24, 2025 T162661
B2209219Certificate of AnalysisNov 24, 2025 T162661
B2209278Certificate of AnalysisNov 24, 2025 T162661
B2209279Certificate of AnalysisNov 24, 2025 T162661
B2209564Certificate of AnalysisNov 24, 2025 T162661
G2525078Certificate of AnalysisAug 06, 2025 T162661
F2111034Certificate of AnalysisMar 04, 2025 T162661
A2607496Certificate of AnalysisJul 15, 2024 T162661
A2607497Certificate of AnalysisJul 15, 2024 T162661
A2607498Certificate of AnalysisJul 15, 2024 T162661
E1916119Certificate of AnalysisMar 08, 2023 T162661
J2511095Certificate of AnalysisDec 17, 2021 T162661

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Chemical and Physical Properties
Refractive Index1.4360 - 1.4380
Flash Point(°F)318.2 °F
Flash Point(°C)210°C
Boil Point(°C)220°C/4mmHg
Molecular Weight398.500 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count21
Exact Mass398.243 Da
Monoisotopic Mass398.243 Da
Topological Polar Surface Area72.500 Ų
Heavy Atom Count26
Formal Charge0
Complexity281.000
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
Citations of This Product
References
1. Qianyi Huang, Rui Hou, Lang Lin, Hengxiang Li, Shan Liu, Yuanyue Cheng, Xiangrong Xu.  (2023)  Bioaccumulation and Trophic Transfer of Organophosphate Flame Retardants and Their Metabolites in the Estuarine Food Web of the Pearl River, China.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:36826812] [10.1021/acs.est.2c05619]
2. Qian-Yi Huang, Rui Hou, Ru Xu, Lang Lin, Heng-Xiang Li, Shan Liu, Pei-Yuan Qian, Yuan-Yue Cheng, Xiang-Rong Xu.  (2024)  Organophosphate flame retardants and their metabolites in the Pearl River Estuary: Occurrence, influencing factors, and ecological risk control strategies based on a mass balance model.  ENVIRONMENT INTERNATIONAL,      [PMID:38330749] [10.1016/j.envint.2024.108478]
3. Wenwen Luo, Keqi Hu, Yijing Chen, Lin Wang, Yungang Liu.  (2024)  Specific human CYP enzymes-dependent mutagenicity of tris(2-butoxyethyl) phosphate (an organophosphorus flame retardant) in human and hamster cell lines.  CHEMICO-BIOLOGICAL INTERACTIONS,      [PMID:38823534] [10.1016/j.cbi.2024.111088]
4. Xinying Gong, Junyi Ma, Yang He, Yuxin Dong, Yuanjun Tong, Jiayu Mao, Mao Li, Dongmei Wang, Zhengjun Gong.  (2025)  UV aging and soil organic matter co-regulate the adsorption of organophosphate flame retardants on PVC and PS: Kinetics and mechanisms.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40684501] [10.1016/j.jhazmat.2025.139266]
5. Juan Wang, Xiaodong Du, Zuifei Wang, Peiwen Wu, Jiangmin Zhou, Xueqin Tao, Zhi Dang, Guining Lu.  (2023)  Optimization and verification of selective removal of organophosphate esters from wastewater by molecularly imprinted adsorbent.  CHEMOSPHERE,      [PMID:38169198] [10.1016/j.chemosphere.2023.141082]
6. Fan Shen, Weili Li, Junjian Miao, Shu Liu, Keqiang Lai.  (2026)  Evaluation of Migration, Bioaccessibility, and Dietary Risk of Organophosphate Flame Retardants in Polypropylene Packaging Using a Packaging–Food–Digestion Simulation System.  Foods,  15  (4): (780).  [PMID:41750972] [10.3390/foods15040780]
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