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Diundecyl Phthalate

CAT: 0572-TRC-D494580-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D494580-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3648-20-2
Synonyms
Phthalic Acid, Bis-n-undecyl Ester; 1,2-Benzenedicarboxylic acid, diundecyl ester (9CI); Phthalic acid, diundecyl ester (7CI,8CI); Undecyl alcohol, phthalate (2:1) (8CI); Undecyl alcohol, phthalate (8CI); Bis-diundecylphthalate; Bisoflex DUP; DUP; Di-n-undecyl phthalate; Diplast L 11; Diundecyl phthalate; Jayflex L 11P; Palatinol 11; Sansocizer DUP
Hazard Statement
No Data Available
Smiles
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC
Molecular Formula
C30 H50 O4
Molecular Weight
474.72
InChI
InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3
Additionnal Information
IUPAC name: diundecyl benzene-1,2-dicarboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Diundecyl phthalate

Diundecyl phthalate is an oily colorless odorless liquid. Less dense than water. (USCG, 1999)

CAS Number3648-20-2
PubChem CID19283
IUPAC Namediundecyl benzene-1,2-dicarboxylate
Molecular FormulaC30H50O4
Molecular Weight474.7
XLogP12.3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count24
Heavy Atom Count34
Formal Charge0
Complexity446
SMILES
CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC
InChI
InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3
InChIKey
QQVHEQUEHCEAKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diundecyl phthalate
CAS: 3648-20-2
CID: 19283
Formula: C30H50O4
MW: 474.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.7
XLogP312.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count24
Exact Mass474.37091007
Monoisotopic Mass474.37091007
Topological Polar Surface Area52.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-P31506-01Diundecyl Phthalate
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