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Diethyl phthalate

CAT: 0804-HY-Y0284-03Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0284-03Size:1 Kg
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Description
Diethyl phthalate is an endocrine disruptor that has the activity of affecting the apoptosis system of PC12 cells. Diethyl phthalate is widely used in a variety of plastics and personal care products. Diethyl phthalate has shown the potential to induce male reproductive toxicity unrelated to androgens in animal experiments[1].
CAS Number
84-66-2
UNSPSC
12352005
Hazard Statement
H316, H319, H335, H360, H410
Target
Apoptosis
Type
Natural Products
Related Pathways
Apoptosis
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/diethyl-phthalate.html
Purity
99.87
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=CC=C1C(OCC)=O)OCC
Molecular Formula
C12H14O4
Molecular Weight
222.24
Precautions
H316, H319, H335, H360, H410
References & Citations
[1]Hazards of diethyl phthalate (DEP) exposure: A systematic review of animal toxicology studies
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Natural Products
Clinical Information
Phase 3

Chemical Information

Diethyl Phthalate

Diethyl phthalate is the diethyl ester of benzene-1,2-dicarboxylic acid. It has a role as a teratogenic agent, a neurotoxin and a plasticiser. It is an ethyl ester, a phthalate ester and a diester.

CAS Number84-66-2
PubChem CID6781
IUPAC Namediethyl benzene-1,2-dicarboxylate
Molecular FormulaC12H14O4
Molecular Weight222.24
XLogP2.5
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity223
SMILES
CCOC(=O)C1=CC=CC=C1C(=O)OCC
InChI
InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
InChIKey
FLKPEMZONWLCSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl Phthalate
CAS: 84-66-2
CID: 6781
Formula: C12H14O4
MW: 222.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.24
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass222.08920892
Monoisotopic Mass222.08920892
Topological Polar Surface Area52.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity223
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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