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Dioctyl Terepthalate

CAT: 0572-TRC-D481850-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D481850-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6422-86-2
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC
Molecular Formula
C24 H38 O4
Molecular Weight
390.56
InChI
InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
Additionnal Information
IUPAC name: bis(2-ethylhexyl) benzene-1,4-dicarboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Di-(2-ethylhexyl) terephthalate
CAS Number6422-86-2
PubChem CID22932
IUPAC Namebis(2-ethylhexyl) benzene-1,4-dicarboxylate
Molecular FormulaC24H38O4
Molecular Weight390.6
XLogP7.4
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Heavy Atom Count28
Formal Charge0
Complexity386
SMILES
CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
InChI
InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
InChIKey
RWPICVVBGZBXNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Di-(2-ethylhexyl) terephthalate
CAS: 6422-86-2
CID: 22932
Formula: C24H38O4
MW: 390.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.6
XLogP37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Exact Mass390.27700969
Monoisotopic Mass390.27700969
Topological Polar Surface Area52.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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