7507-01-9

Basic information

• Product Name: 3,4-BIS(4-HYDROXYPHENYL)-3,4-HEXANEDIOL
• Synonyms: alpha,alpha-dihydroxydiethylstilbestrol;3,4-Bis(p-hydroxyphenyl)-3,4-hexanediol
• CAS NO: 7507-01-9
• Molecular Formula: C₁₈H₂₂O₄
• Molecular Weight: 302.3736
• EINECS: 231-363-5
• Mol File: 7507-01-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 532°Cat760mmHg
• Flash Point: 250.7°C
• Appearance: /
• Density: 1.246g/cm³
• Vapor Pressure: 3.79E-12mmHg at 25°C
• Refractive Index: 1.616
• CAS DataBase Reference: 3,4-BIS(4-HYDROXYPHENYL)-3,4-HEXANEDIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-BIS(4-HYDROXYPHENYL)-3,4-HEXANEDIOL(7507-01-9)
• EPA Substance Registry System: 3,4-BIS(4-HYDROXYPHENYL)-3,4-HEXANEDIOL(7507-01-9)

Safety Data

• Hazardous Substances Data: 7507-01-9(Hazardous Substances Data)

Usage

General Description

3,4-BIS(4-HYDROXYPHENYL)-3,4-HEXANEDIOL is a chemical compound with the molecular formula C18H22O4. It is a diol compound containing two hydroxyphenyl groups and a hexanediol backbone. This chemical is commonly used in the production of various polymers and resins and has antioxidant properties, making it useful in the stabilization of plastics and rubbers. It is also used in the formulation of cosmetics and personal care products due to its moisturizing and conditioning properties. Additionally, 3,4-BIS(4-HYDROXYPHENYL)-3,4-HEXANEDIOL has potential applications in the pharmaceutical industry due to its antioxidant and anti-inflammatory properties.

InChI:InChI=1/C18H22O4/c1-3-17(21,13-5-9-15(19)10-6-13)18(22,4-2)14-7-11-16(20)12-8-14/h5-12,19-22H,3-4H2,1-2H3

Synthetic route

4-hydroxypropiophenone (70-70-2) → diethylstilbestrol (56-53-1) + 3,4-bis(4-hydroxyphenyl)-3,4-hexanediol (7507-01-9) + cis-3,4-Bis(p-hydroxyphenyl)-3-hexene (22610-99-7)

Conditions	Yield
With titanium tetrachloride; zinc In tetrahydrofuran for 20h; Heating; Yield given;	A n/a B 27% C n/a
With titanium tetrachloride; zinc In tetrahydrofuran for 20h; Heating; Yields of byproduct given;	A n/a B 27% C n/a
With titanium tetrachloride; zinc In tetrahydrofuran for 20h; Heating; Yield given. Title compound not separated from byproducts;	A n/a B 27% C n/a

3,4-bis(4-hydroxyphenyl)-3,4-hexanediol (7507-01-9) → 4,4-Bis(p-acetoxyphenyl)-3-hexanone (18922-12-8)

Conditions	Yield
With sulfuric acid; acetic acid und anschliessend mit Acetanhydrid und Pyridin;

3,4-bis(4-hydroxyphenyl)-3,4-hexanediol (7507-01-9) + acetic anhydride (108-24-7) → 3,4-bis-(4-acetoxy-phenyl)-hexa-2t,4t-diene (24705-61-1)

Conditions	Yield
With hydrogenchloride

Upstream product

• 70-70-2 4-hydroxypropiophenone 
• 24530-05-0 racem.-3,4-bis-(4-acetoxy-phenyl)-hexane-3,4-diol 
• 7664-93-9 sulfuric acid 
• 7487-88-9 magnesium sulfate 
• 67-56-1 methanol 
• 60-29-7 diethyl ether 

Downstream Products

• 24705-61-1 3,4-bis-(4-acetoxy-phenyl)-hexa-2t,4t-diene 
• 24530-05-0 meso-3,4-bis-(4-acetoxy-phenyl)-hexane-3,4-diol 
• 24530-05-0 racem.-3,4-bis-(4-acetoxy-phenyl)-hexane-3,4-diol 
• 18922-12-8 4,4-Bis(p-acetoxyphenyl)-3-hexanone 
• 18922-13-9 diethylstilbesterol pinacolone