AG003V75

3319-31-1 | Trioctyl benzene-1,2,4-tricarboxylate

AG003V75

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CAS Number	3319-31-1
Catalog Number	AG003V75(AGN-PC-05WM6Z)
Chemical Name	Trioctyl benzene-1,2,4-tricarboxylate
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
InChI Key	KRADHMIOFJQKEZ-UHFFFAOYSA-N
MDL Number	MFCD00053799
Molecular Formula	C33H54O6
Molecular Weight	546.7783
SMILES	O=C(C1=CC=C(C(OCCCCCCCC)=O)C=C1C(OCCCCCCCC)=O)OCCCCCCCC
Synonyms	Kodaflex TOTM, TEHM, tri-(2-ethylhexyl) trimellitate, tri-(2-ethylhexyl)trimellitate, tris(2-ethylhexyl)trimellitate, Totm, TRIS(2-ETHYLHEXYL) TRIMELLITATE, 3319-31-1, Kodaflex TOTM, Tri-2-ethylhexyl trimellitate, Tris(2-ethylhexyl)trimellitate, Staflex TOTM, Morflex 510, Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate, 1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester, Hatcol 200, Trimex T 08, Monosizer W710L, Tri-(2-ethylhexyl)trimellitate, CCRIS 4733, tri(2-Ethylhexyl) trimellitate, HSDB 6145, 1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(2-ethylhexyl) ester, EINECS 222-020-0, BRN 2683525, Trimellitic Acid Tris(2-ethylhexyl) Ester, DSSTox_CID_6265, DSSTox_RID_78080, DSSTox_GSID_26265, CAS-3319-31-1, Palatinol TOTM, Plasthall TOTM, Tricotyl trimellitate, TOTM-CA, AC1L2CO3, tri-2-ethylhexyltrimellitate, Trioctyl trimellitate, 99%, SCHEMBL34167, tri(2-ethylhexyl)trimellitate, Tri(2-ethylhexyl) trimellitat, tris-2-ethylhexyl trimellitate, CHEMBL1425782, DTXSID9026265, KRADHMIOFJQKEZ-UHFFFAOYSA-N, ACT07106, BCP15044, Tox21_202002, Tox21_300614, MFCD00053799, PX-338, Trimellitate tris(2-ethylhexyl) ester, Trioctyl 1,2,4-Benzenetricarboxylate, AKOS015889918, ANGC-3319-31-1, LS-1206, NCGC00091597-01, NCGC00091597-02, NCGC00091597-03, NCGC00254472-01, NCGC00259551-01, Trimellitic acid tris(2-ethylhexyl)ester, TR-013903, B0881, FT-0657034, ST24031962, EC 222-020-0, TRIMELLITIC ACID TRI-2-ETHYLHEXYL ESTER, Tris(2-ethylhexyl) 1,2,4-benzenetricarboxylate #, Tris(2-ethylhexyl) trimellitate, Selectophore(TM), I01-4414, W-106784, 1,2,4-Benzenetricarboxylic Acid Tris(2-ethylhexyl) Ester, Tris(2-ethylhexyl) ester 1,2,4-benzenetricarboxylic acid, Tris(2-ethylhexyl) trimellitate-1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl)ester, Trioctyl trimellitate, TEHM, Tri(2-ethylhexyl) phosphite, tri-(2-ethylhexyl) trimellitate, CID18725, UNII-378539Q830, Trioctyl benzene-1,2,4-tricarboxylate, C036101, 378539Q830,

Complexity	677
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	546.392g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	546.789g/mol
Monoisotopic Mass	546.392g/mol
Rotatable Bond Count	24
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	10.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H312-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number