Products for Research Use Only
RegisterLogin

Trioctyl trimellitate

CAT: 0013-GTR19243232Size: 5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19243232Size:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Trioctyl trimellitate is a viscous plasticizer and solvent used in organic synthesis and biochemical research. It is employed in vitro as a non-aqueous medium for enzymatic studies and in the formulation of research materials.
CAS Number
3319-31-1
Product Name Alternative
1,2,4-tris (2-ethylhexyl) benzene-1,2,4-tricarboxylate, Trioctyl 1,2,4-Benzenetricarboxylate, Tris (2-ethylhexyl) trimellitate
Purity
98.07% (May vary between batches)
Smiles
O=C (OCC (CC) CCCC) C1=CC=C (C (=O) OCC (CC) CCCC) C (=C1) C (=O) OCC (CC) CCCC
Molecular Formula
C33H54O6
Molecular Weight
546.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Trioctyl trimellitate

Tri-2-ethylhexyl trimellitate is a benzoate ester.

CAS Number3319-31-1
PubChem CID18725
IUPAC Nametris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
Molecular FormulaC33H54O6
Molecular Weight546.8
XLogP10.4
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count24
Heavy Atom Count39
Formal Charge0
Complexity677
SMILES
CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
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
InChIKey
KRADHMIOFJQKEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trioctyl trimellitate
CAS: 3319-31-1
CID: 18725
Formula: C33H54O6
MW: 546.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.8
XLogP310.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count24
Exact Mass546.39203944
Monoisotopic Mass546.39203944
Topological Polar Surface Area78.9 Ų
Heavy Atom Count39
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19244542-01Methyl trioctyl ammonium chloride
GTR19224704-01Tributyl borate
GTR19245133-01Triacetyl-β-cyclodextrin
GTR19202470Tributyl phosphite
GTR19202381-01Tributyl phosphate
GTR19206755Triacetyl-ganciclovir
GTR19243817-01Trityl candesartan
GTR19219754-01Trityl candesartan
GTR19226092-01Trityl-PEG10-azide
GTR19226091-01Trityl-PEG8-azide

Alternative Products

CatalogName
TRC-T804400-50GTrioctyl Trimellitate
HY-W010750R-01Trioctyl trimellitate (Standard)
HY-W010750S-01Trioctyl trimellitate-d6
FT179677Trioctyl phosphate
OR1023634Trioctyl Phosphite
TRC-T886463-2.5GTributyl Trimellitate
AR-F09719-01Tridecyl Trimellitate
TRC-T649150-500MGTriisononyl Trimellitate
OR1022559Trimethyl Trimellitate
TRC-T383520-1GTriisooctyl Trimellitate

Popular Products