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Dihexyl Phthalate

CAT: 1299-RG-D091702-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-D091702-02Size:25 mg
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CAS Number
84-75-3
Synonyms
Dihexyl phthalate
Molecular Formula
C20H30O4
Molecular Weight
334.46
Product Name Synonym
Dihexyl phthalate

Chemical Information

Dihexyl phthalate

Di-n-hexyl Phthalate (DnHP) can cause female reproductive toxicity and male reproductive toxicity according to The National Toxicology Program's Center for the Evaluation of Risks to Human Reproduction.

CAS Number84-75-3
PubChem CID6786
IUPAC Namedihexyl benzene-1,2-dicarboxylate
Molecular FormulaC20H30O4
Molecular Weight334.4
XLogP6.9
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count24
Formal Charge0
Complexity320
SMILES
CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC
InChI
InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKey
KCXZNSGUUQJJTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihexyl phthalate
CAS: 84-75-3
CID: 6786
Formula: C20H30O4
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass334.21440943
Monoisotopic Mass334.21440943
Topological Polar Surface Area52.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity320
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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