4-[4-(4-Hydroxyphenyl)hex-3-en-3-yl]phenol

Base Information Edit

Chemical Name:4-[4-(4-Hydroxyphenyl)hex-3-en-3-yl]phenol
CAS No.:6898-97-1
Molecular Formula:C₁₈H₂₀O₂
Molecular Weight:268.356
Hs Code.:29072990
European Community (EC) Number:678-392-3
DSSTox Substance ID:DTXSID3040770
Wikidata:Q27164556
ChEMBL ID:CHEMBL2135534
Mol file:6898-97-1.mol

Synonyms:6898-97-1;4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-;alpha,alpha'-Diethyl-4,4'-stilbenediol-d4;CCRIS 9140;Stilbestrol;DES;Diethylstilbestrol BP;AI3-17297;(Z,E)-Diethylstilbestrol;DTXSID3040770;C18H20O2;Diethylstilbestrol,(S);Spectrum_000940;4,4'-Stilbenediol, .alpha.,.alpha.'-diethyl-;Prestwick0_000756;Prestwick1_000756;Spectrum2_000148;Spectrum3_000391;Spectrum4_000512;4,4'-Stilbenediol, .alpha.,.alpha.'-diethyl-, (Z)-;Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (Z)-;Oprea1_042748;KBioGR_001083;KBioSS_001420;DivK1c_000519;cpd w/o stereochem designation;SPBio_000256;SPBio_002711;Phenol, 4,4'-(1,2-diethyl-1,2-ethylenediyl)bis-, (Z)- (9CI);CHEMBL2135534;KBio1_000519;KBio2_001420;KBio2_003988;KBio2_006556;KBio3_001421;NINDS_000519;HMS3655E18;HMS3746G09;AKOS025401352;NCGC00090749-11;NCGC00188969-02;AC-12170;LS-176713;(Z)-4,4'-(hex-3-ene-3,4-diyl)diphenol;FT-0603236;FT-0624909;FT-0666798;FT-0666799;A23912;Q27164556

Suppliers and Price of 4-[4-(4-Hydroxyphenyl)hex-3-en-3-yl]phenol

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Des-
2.5mg
$ 531.00

Usbiological
Des-
10mg
$ 460.00

Usbiological
Des-
2.5mg
$ 460.00

TCI Chemical
Diethylstilbestrol >98.0%(GC)
5g
$ 113.00

TCI Chemical
Diethylstilbestrol >98.0%(GC)
1g
$ 45.00

Sigma-Aldrich
Diethylstilbestrol, mixture of cis and trans 97%
5g
$ 118.00

Crysdot
4,4'-(Hex-3-ene-3,4-diyl)diphenol 95+%
25g
$ 384.00

AHH
Diethylstilbestrol 98%
500g
$ 730.00

Total 62 raw suppliers

Chemical Property of 4-[4-(4-Hydroxyphenyl)hex-3-en-3-yl]phenol Edit

Chemical Property:

Vapor Pressure:3.29E-07mmHg at 25°C
Melting Point:170-172 °C(lit.)
Refractive Index:1.603
Boiling Point:407.102 °C at 760 mmHg
PKA:9.27±0.15(Predicted)
Flash Point:186.946 °C
PSA：40.46000
Density:1.108 g/cm³
LogP:4.82860
Solubility.:soluble in Methanol
Water Solubility.:PRACTICALLY INSOLUBLE
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:268.146329876
Heavy Atom Count:20
Complexity:286

Purity/Quality:

98%,99%, ^*data from raw suppliers

Des- ^*data from reagent suppliers

Safty Information:

Pictogram(s): T,N
Hazard Codes:T,N
Statements: 45-61-36/37/38-51/53
Safety Statements: 53-36/37/39-45-60-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Description Diethylstilbestrol is a derivative of stilbene, and it differs from sin-estrol by the presence of a double bond with trans-configuration of the two phenyl groups. In terms of estrogenic activity, this drug surpasses both estrone and hexestrol.
Uses Diethylstilbestrol was used as internal standard for the analysis of drug residues in urine of rats and calves by on-line HPLC with ultraviolet and continuous-flow fast atom bombardmentmass spectrometry detectors.

Technology Process of 4-[4-(4-Hydroxyphenyl)hex-3-en-3-yl]phenol

There total 14 articles about 4-[4-(4-Hydroxyphenyl)hex-3-en-3-yl]phenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 72.0%