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Reference substances

Reference substances

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General information

Inventory

EC number:
201-877-4
EC name:
Trioctyl benzene-1,2,4-tricarboxylate
CAS number:
89-04-3

No inventory information available

Reference substance information

IUPAC name:
trioctyl benzene-1,2,4-tricarboxylate
Synonyms
Names:
1,2,4-Benzenetricarboxylic acid, trioctyl ester
Tri-n-octyl trimellitate
Trioctyl 1,2,4-benzenetricarboxylate
Trioctyl trimellitate
trioctyl benzene-1,2,4-tricarboxylate
tris n-octyl benzene-1,2,4-tricarboxylate
Identifier:
IUPAC name
Trioctyl benzene-1,2,4-tricarboxylate
Identifier:
IUPAC name
trioctyl benzene-1,2,4-tricarboxylate
Identifier:
other: InChl
InChI=1S/C33H54O6/c1-4-7-10-13-16-19-24-37-31(34)28-22-23-29(32(35)38-25-20-17-14-11-8-5-2)30(27-28)33(36)39-26-21-18-15-12-9-6-3/h22-23,27H,4-21,24-26H2,1-3H3
Identifier:
other: SMILES notation
O=C(OCCCCCCCC)c1cc(ccc1C(=O)OCCCCCCCC)C(=O)OCCCCCCCC

CAS information

CAS number:
89-04-3

Molecular and structural information

Molecular formula:
C33H54O6
Molecular weight:
546.778
SMILES notation:
CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)c(c1)C(=O)OCCCCCCCC
InChl:
InChI=1/C33H54O6/c1-4-7-10-13-16-19-24-37-31(34)28-22-23-29(32(35)38-25-20-17-14-11-8-5-2)30(27-28)33(36)39-26-21-18-15-12-9-6-3/h22-23,27H,4-21,24-26H2,1-3H3
Structural formula:
Chemical structure