78995-98-9

Basic information

• Product Name: (3,3,4,4,4-D5)-(E/Z)-1-[4-(2-Chloroethoxy)phenyl]-1-[4-hydroxyphenyl]-2-phenyl-1-butene
• Synonyms: 1,3-Dichloro-2-(methoxymethoxy)-propane-D5;b-Cyclocitral-D5, Technical Grade;[2-Chloro-1-(chloromethyl)ethoxy]methoxy-methane-d;6,6-Dimethyl-2-(methyl-d3)-1-cyclohexene-3,3-d2-1-carboxaldehyde;[2-Chloro-1-(chloromethyl)ethoxy]methoxy-methane-d5;-Cyclocitral-d5, Technical Grade;β-Cyclocitral-d5
• CAS NO: 78995-98-9
• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.24
• Product Categories: All Aliphatics;Aliphatics;Isotope Labeled Compounds;Intermediates;Isotope Labelled Compounds
• Mol File: 78995-98-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 101-1030C/10Torr
• Flash Point: 76.928°C
• Appearance: /
• Density: 0.979g/cm³
• Vapor Pressure: 0.176mmHg at 25°C
• Refractive Index: 1.508
• Storage Temp.: -86°C Freezer
• Solubility: Chloroform, Dichloromethane
• Stability: Temperature Sensitive
• CAS DataBase Reference: (3,3,4,4,4-D5)-(E/Z)-1-[4-(2-Chloroethoxy)phenyl]-1-[4-hydroxyphenyl]-2-phenyl-1-butene(CAS DataBase Reference)
• NIST Chemistry Reference: (3,3,4,4,4-D5)-(E/Z)-1-[4-(2-Chloroethoxy)phenyl]-1-[4-hydroxyphenyl]-2-phenyl-1-butene(78995-98-9)
• EPA Substance Registry System: (3,3,4,4,4-D5)-(E/Z)-1-[4-(2-Chloroethoxy)phenyl]-1-[4-hydroxyphenyl]-2-phenyl-1-butene(78995-98-9)

Safety Data

• Hazardous Substances Data: 78995-98-9(Hazardous Substances Data)

Usage

Description

(3,3,4,4,4-D5)-(E/Z)-1-[4-(2-Chloroethoxy)phenyl]-1-[4-hydroxyphenyl]-2-phenyl-1-butene is a complex organic compound with a unique molecular structure. It is characterized by the presence of a butene backbone with two phenyl groups attached to it, as well as a chloroethoxyphenyl and a hydroxyphenyl group. (3,3,4,4,4-D5)-(E/Z)-1-[4-(2-Chloroethoxy)phenyl]-1-[4-hydroxyphenyl]-2-phenyl-1-butene also contains deuterium atoms, which are isotopes of hydrogen, at specific positions in the molecule. (3,3,4,4,4-D5)-(E/Z)-1-[4-(2-Chloroethoxy)phenyl]-1-[4-hydroxyphenyl]-2-phenyl-1-butene exists as a mixture of E/Z isomers, with the alpha isomer present in 10-20% of the total composition.

Uses

There is limited information provided on the specific applications of (3,3,4,4,4-D5)-(E/Z)-1-[4-(2-Chloroethoxy)phenyl]-1-[4-hydroxyphenyl]-2-phenyl-1-butene. However, given its unique molecular structure and the presence of functional groups, it is possible that the compound may have potential uses in various industries, such as pharmaceuticals, materials science, or chemical research. Further investigation and research would be required to determine the specific applications and benefits of this compound in different fields.

InChI:InChI=1/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3/i1D3,5D2

Upstream product

• 14505-74-9 α-cyclocitral 

Downstream Products

• 78995-97-8 <6,6-dimethyl-2-(methyl-d3)-1-cyclohexen-3,3-d2-1-yl>methyltriphenylphosphonium bromide 
• 78995-96-7 ethyl (E)-retinoate-4,4,18,18,18-d5 
• 78996-15-3 (E)-retinoic acid-4,4,18,18,18-d5 
• 99427-82-4 C₁₀H₁₂⁽²⁾H₅Br 
• 111268-58-7 1-<6',6'-dimethyl-2'-(trideuteriomethyl)-3',3'-dideuterio-1'-cyclohexen-1'-yl>-2-propyn-1-yl benzoate 
• 111268-59-8 1-<6',6'-dimethyl-2'-(trideuteriomethyl)-3',3'-dideuterio-1'-cyclohexen-1'-yl>-3-(phenylthio)-1,2-propadiene 
• 78995-99-0 6,6-dimethyl-1-(hydroxymethyl)-2-(methyl-d3)-1-cyclohexene-3,3-d2 
• 111268-57-6 1-<2'-(trideuteriomethyl)-6',6'-dimethyl-3',3'-dideuterio-1'-cyclohexen-1'-yl>-2-propyn-1-ol 

Relevant articles and documents

Retinoic acid analogues with ring modifications. Synthesis and pharmacological activity

Analogues of retinoic acid that have their major modifications in the 5,6 double bond and 4-methylene group regions of the β-cyclogeranylidene ring have been synthesized as potential agents for the treatment and prevention of epithelial cancer. These modi