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Diisononyl Phthalate

CAT: 0024-sc-489046Size: 500 gDry Ice: NoHazardous: No
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CAT#:0024-sc-489046Size:500 g
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CAS Number
28553-12-0

Chemical Information

Diisononyl phthalate

Diisononyl Phthalate (DINP) can cause cancer according to an independent committee of scientific and health experts.

CAS Number28553-12-0
PubChem CID590836
IUPAC Namebis(7-methyloctyl) benzene-1,2-dicarboxylate
Molecular FormulaC26H42O4
Molecular Weight418.6
XLogP9.6
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Heavy Atom Count30
Formal Charge0
Complexity416
SMILES
CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C
InChI
InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
InChIKey
HBGGXOJOCNVPFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diisononyl phthalate
CAS: 28553-12-0
CID: 590836
Formula: C26H42O4
MW: 418.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.6
XLogP39.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Exact Mass418.30830982
Monoisotopic Mass418.30830982
Topological Polar Surface Area52.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity416
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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Alternative Products

CatalogName
HY-116439-01Diisononyl phthalate
S-1559-MEOHDiisononyl phthalate - EACH
AR-P31515-01Diisononyl Phthalate-d4
447054-01Diisononyl Phthalate-13C6, d4
TRC-D455228-50MGDiisononyl Phthalate-13C6,d4
S-1559-MCDiisononyl phthalate(Bran - EACH
EHD0278Human diisononyl phthalate (DINP)
TRC-D455395-5GDiisononyl Phthalate (mixture of branched chain isomers)

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