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2-Ethylhexyl diphenyl phosphate

CAT: 0804-HY-W009066-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W009066-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Ethylhexyl diphenyl phosphate is an organophosphate flame retardants (OPFRs) and a PPARG agonist (EC20: 2.04 µM) . 2-Ethylhexyl diphenyl phosphate also inhibits ERRγ transcriptional activity (IC50: 1.3 µM) . 2-Ethylhexyl diphenyl phosphate upregulates 3β-HSD1, human chorionic gonadotropin (hCG) and progesterone secretion. 2-Ethylhexyl diphenyl phosphate can be used in studies of female reproduction and fetal development[1][2].
CAS Number
1241-94-7
Product Name Alternative
EHDPP; Octicizer
UNSPSC
12352005
Hazard Statement
H301, H410
Target
Estrogen Receptor/ERR; PPAR; Progesterone Receptor
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Purity
94.27
Smiles
O=P(OC1=CC=CC=C1)(OCC(CC)CCCC)OC2=CC=CC=C2
Molecular Formula
C20H27O4P
Molecular Weight
362.41
Precautions
H301, H410
References & Citations
[1]Hu W, et al. Activation of Peroxisome Proliferator-Activated Receptor Gamma and Disruption of Progesterone Synthesis of 2-Ethylhexyl Diphenyl Phosphate in Human Placental Choriocarcinoma Cells: Comparison with Triphenyl Phosphate. Environ Sci Technol. 2017 Apr 4;51 (7) :4061-4068.|[2]Cao L Y, et al. Organophosphate esters bind to and inhibit estrogen-related receptor γ in cells. Environmental Science & Technology Letters, 2018, 5 (2) : 68-73.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
ERRγ

Chemical Information

2-Ethylhexyl diphenyl phosphate

Octicizer is an aryl phosphate.

CAS Number1241-94-7
PubChem CID14716
IUPAC Name2-ethylhexyl diphenyl phosphate
Molecular FormulaC20H27O4P
Molecular Weight362.4
XLogP6.3
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity365
SMILES
CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
InChIKey
CGSLYBDCEGBZCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylhexyl diphenyl phosphate
CAS: 1241-94-7
CID: 14716
Formula: C20H27O4P
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass362.16469634
Monoisotopic Mass362.16469634
Topological Polar Surface Area44.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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