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Dicyclohexyl Phthalate

CAT: 0572-TRC-D439250-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D439250-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
84-61-7
Hazard Statement
May cause an allergic skin reaction; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
O=C(OC1CCCCC1)c2ccccc2C(=O)OC3CCCCC3
Molecular Formula
C20 H26 O4
Molecular Weight
330.42
InChI
InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
Additionnal Information
IUPAC name: dicyclohexyl benzene-1,2-dicarboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dicyclohexyl phthalate

Dicyclohexyl phthalate is a phthalate ester and a diester.

CAS Number84-61-7
PubChem CID6777
IUPAC Namedicyclohexyl benzene-1,2-dicarboxylate
Molecular FormulaC20H26O4
Molecular Weight330.4
XLogP5.2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity381
SMILES
C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3
InChI
InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChIKey
VOWAEIGWURALJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dicyclohexyl phthalate
CAS: 84-61-7
CID: 6777
Formula: C20H26O4
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass330.18310931
Monoisotopic Mass330.18310931
Topological Polar Surface Area52.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity381
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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