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Tri-m-cresyl Phosphate - >95.0%(GC), high purity , CAS No.563-04-2

COA

Grade & Purity:

≥95%(GC)

Cas Number: 563-04-2
Molecular Weight: 368.37
MDL number: MFCD00041907
PubChem CID: 11232
PubChem SID: 504752089

In stock

Item Number

T162666

Grouped product items
SKU	Size	Availability	Price
T162666-1g	1g	Available within 1-2 weeks(?) Item is derived from our semi-finished stock and is processed in 1-2 weeks.	$29.90
T162666-5g	5g	3	$114.90
T162666-25g	25g	2	$517.90
T162666-100g	100g	1	$1,862.90

View related series

Element classified compounds (2014) Phosphorus compounds (460)

Basic Description

Synonyms	InChI=1/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3 \| Phosphoric acid tri-m-tolyl ester \| SY052168 \| Tri-m-tolyl phosphate, AldrichCPR \| TMTP \| EINECS 209-241-8 \| P1472 \| m-Tolyl phosphate, (C7H7O)
Specifications & Purity	≥95%(GC)
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic phosphoric acids and derivatives
    - Subclass Phosphate esters
      - Level5 Aryl phosphates
        Level6 Aryl phosphotriesters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphoric acids and derivatives
Subclass	Phosphate esters
Intermediate Tree Nodes	Aryl phosphates
Direct Parent	Aryl phosphotriesters
Alternative Parents	Phenoxy compounds Toluenes Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl phosphotriester - Phenoxy compound - Toluene - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl phosphotriesters. These are aryl phosphates in which the phosphate is esterified at exactly three positions.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504752089
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752089
IUPAC Name	tris(3-methylphenyl) phosphate
INCHI	InChI=1S/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3
InChIKey	RMLPZKRPSQVRAB-UHFFFAOYSA-N
Smiles	CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C
Isomeric SMILES	CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C
PubChem CID	11232
UN Number	2574
Packing Group	II
Molecular Weight	368.37
Reaxy-Rn	2063138

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C1928011	Certificate of Analysis	Jan 26, 2023	T162666
L2209188	Certificate of Analysis	Dec 28, 2022	T162666
B2223058	Certificate of Analysis	Jan 19, 2022	T162666
B2223067	Certificate of Analysis	Jan 19, 2022	T162666
B2222444	Certificate of Analysis	Jan 19, 2022	T162666
B2222425	Certificate of Analysis	Jan 19, 2022	T162666

Chemical and Physical Properties

Solubility	Insoluble in water, soluble in toluene, soluble in ether and acetone, slightly soluble in alcohol
Sensitivity	Moisture sensitive
Refractive Index	1.56
Boil Point(°C)	240 °C/3 mmHg
Melt Point(°C)	20 °C
Molecular Weight	368.400 g/mol
XLogP3	6.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	368.118 Da
Monoisotopic Mass	368.118 Da
Topological Polar Surface Area	44.800 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	416.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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