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Diisopropyl Phthalate

CAT: 0926-FD62525-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FD62525-01Size:25 g
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CAS Number
605-45-8
Synonyms
Phthalic Acid Diisopropyl Ester
MDL Number
MFCD00053717
Smiles
CC (C) OC (=O) C1=CC=CC=C1C (=O) OC (C) C
Molecular Formula
C14H18O4
Molecular Weight
250.29 g/mol
Controlled
No

Chemical Information

Diisopropyl phthalate

Diisopropyl phthalate is a phthalate ester, an isopropyl ester and a diester.

CAS Number605-45-8
PubChem CID11799
IUPAC Namedipropan-2-yl benzene-1,2-dicarboxylate
Molecular FormulaC14H18O4
Molecular Weight250.29
XLogP2.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity266
SMILES
CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C
InChI
InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
InChIKey
QWDBCIAVABMJPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diisopropyl phthalate
CAS: 605-45-8
CID: 11799
Formula: C14H18O4
MW: 250.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.29
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass250.12050905
Monoisotopic Mass250.12050905
Topological Polar Surface Area52.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity266
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

Related Products

CatalogName
FD05914-01Diisopropyl azodicarboxylate
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FD160397Diisopropyl (bromomethyl) boronate
FD34832-01(+) -Diisopropyl L-tartrate
FD34839-01Diisopropyl D-tartrate
ZAA53958Monoheptyl phthalate
FD62526Dimethyl Phthalate

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CatalogName
T20322-01Diisopropyl phthalate
HY-W011926R-01Diisopropyl phthalate (Standard)
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D32990-01Diisopropyl phthalate 97%
447061-01Diisopropyl Malonate
010081Diisopropyl Azodicarboxylate
10099-70-4Diisopropyl maleate
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