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Reference substances

Currently viewing:
IUPAC name:
1,2,4-tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate

Inventory

EC number:
222-020-0
EC name:
Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
CAS number:
3319-31-1
CAS number:
3319-31-1
Synonyms
Names:
1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester
Benzene-1,2 4-tricarboxylic acid tris-(2-ethylhexyl) ester
Tri-2-ethylhexyl trimellitate
Trioctyl benzene-1,2,4-tricarboxylate
Trioctyl trimellitate
Tris(2-ethylhexyl) trimellitate
Tris(2-et​hylhexyl)​ 1,2,4-be​nzenetric​arboxylate
trimellit​ic acid t​ris-(2-et​hylhexyl)​ ester
Identifier:
IUPAC name
,2,4-tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
Identifier:
IUPAC name
1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(2-ethylhexyl) ester
Identifier:
IUPAC name
Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
Identifier:
ChemSpider ID
CSID:17681
Identifier:
common name
1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester
Identifier:
common name
Benzene-1,2 4-tricarboxylic acid tris-(2-ethylhexyl) ester
Identifier:
common name
Tri-2-ethylhexyl trimellitate
Identifier:
common name
Tris(2-ethylhexyl) trimellitate
Identifier:
common name
Tris(2-et​hylhexyl)​ 1,2,4-be​nzenetric​arboxylate
Identifier:
common name
trimellit​ic acid t​ris-(2-et​hylhexyl)​ ester
Identifier:
PubChem
CID:18725
Identifier:
other: InChl
1/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
Identifier:
other: SMILES notation
CCCCC(CC)COC(=O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)OCC(CC)CCCC
Identifier:
other: SMILES notation
CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)c(c1)C(=O)OCC(CC)CCCC
Identifier:
other: InChl
InChI=1/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
Identifier:
other: InChl
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/t25-,26+,27+/m1/s1
Identifier:
other: SMILES notation
O=C(OCC(CCCC)CC)c(ccc(c1C(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC)c1
tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate

Molecular and structural information

Molecular formula:
C33H54O6
Molecular weight:
546.778
SMILES notation:
O=C(OCC(CC)CCCC)c1cc(ccc1C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
InChl:
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
Structural formula:
Chemical structure

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