2589-73-3

Basic information

• Product Name: 4-HYDROXYOCTANOPHENONE
• Synonyms: 1-(4-hydroxyphenyl)-1-octanon;4-Octanoylphenol;Octanophenone, 4'-hydroxy-;1-(4-HYDROXYPHENYL)-1-OCTANONE;4-HYDROXYOCTANOPHENONE;1-(4-hydroxyphenyl)octan-1-one;Heptyl 4-hydroxyphenyl ketone
• CAS NO: 2589-73-3
• Molecular Formula: C14H20O2
• Molecular Weight: 220.31
• EINECS: 219-979-2
• Mol File: 2589-73-3.mol
• Article Data: 14

Chemical Properties

• Melting Point: 59-61°C
• Boiling Point: 365.3°Cat760mmHg
• Flash Point: 155.8°C
• Appearance: /
• Density: 1.008g/cm³
• Vapor Pressure: 7.54E-06mmHg at 25°C
• Refractive Index: 1.515
• Solubility: Dichloromethane, Diethyl Ether, Ethyl Acetate
• PKA: 8.16±0.15(Predicted)
• BRN: 1954746
• CAS DataBase Reference: 4-HYDROXYOCTANOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-HYDROXYOCTANOPHENONE(2589-73-3)
• EPA Substance Registry System: 4-HYDROXYOCTANOPHENONE(2589-73-3)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36
• TSCA: Yes
• Hazardous Substances Data: 2589-73-3(Hazardous Substances Data)

Usage

Uses

4-Octanoylphenol is an intermediate in the synthesis of 4-Octylphenol Monoethoxylate which is widely used as nonionic surfactants.

InChI:InChI=1/C14H20O2/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h8-11,15H,2-7H2,1H3

Upstream product

• 5457-78-3 phenyl octanoate 
• 111-64-8 n-octanoic acid chloride 
• 108-95-2 phenol 
• 124-07-2 Octanoic acid 
• 106-41-2 4-bromo-phenol 
• 124-13-0 Octanal 
• 3452-09-3 1-nonyne 
• 106-51-4 p-benzoquinone 
• 1414963-52-2 4-(oct-1-yn-1-yl)phenol 
• 7446-70-0 aluminium trichloride 
• 101-84-8 diphenylether 
• 7550-45-0 titanium tetrachloride 
• 98-95-3 nitrobenzene 
• 630-20-6 1,1,1,2-tetrachoroethane 

Downstream Products

• 102240-72-2 nicotinic acid-[1-(4-hydroxy-phenyl)-octylidenehydrazide] 
• 102240-70-0 isonicotinic acid-[1-(4-hydroxy-phenyl)-octylidenehydrazide] 
• 17765-30-9 1-(4-hydroxy-phenyl)-octan-1-one-(2,4-dinitro-phenylhydrazone) 
• 17744-54-6 1-(2-hydroxy-phenyl)-octan-1-one-(2,4-dinitro-phenylhydrazone) 
• 102946-00-9 1-(4-octanoyloxy-phenyl)-octan-1-one 
• 20683-51-6 C₁₄H₁₈Br₂O₂ 
• 1539285-94-3 trifluoromethanesulfonic acid 4-octanoyl-phenyl ester 
• 13222-43-0 bis(2-hydroxy-5-n-octylphenyl)methane 
• 1089700-47-9 C₁₄H₂₂N₂O 
• 1374020-23-1 ethyl (RS)-2-[4-octanoylphenoxy]decanoate 
• 1374020-24-2 (RS)-2-[4-octanoylphenoxy]decanoic acid 
• 1374020-25-3 (R)-2-[4-octanoylphenoxy]decanoic acid, sodium salt 
• 1374020-29-7 (R)-2-[4-octanoylphenoxy]decanoic acid 
• 1374020-28-6 (S)-2-[4-octanoylphenoxy]decanoic acid (S)-lactamide ester 

Relevant articles and documents

Visible Light-Mediated [2 + 2] Cycloaddition Reactions of 1,4-Quinones and Terminal Alkynes

A single-step synthesis of 4-hydroxy-functionalized bi-aryl and aryl/alkyl ketones via oxidative coupling of terminal alkynes with benzoquinones is reported. Furthermore, with naphthoquinones, owing to the cross-resonance of carbonyl with the aromatic ring, alkene-alkyne cycloaddition is more favored to give four-membered carbocyclic adducts, thereby precluding the requirement of preactivated alkynes.

Synthesis, biochemical evaluation and rationalisation of a series of 3,5- dibromo derivatives of 4-hydroxyphenyl ketone-based compounds as probes of the active site of type 3 of 17β-hydroxysteroid dehydrogenase (17β-hsd3) and the role of hydrogen bonding interaction in the inhibition of 17β-HSD3

We report the synthesis, evaluation and rationalisation of the inhibitory activity of a series of 3,5-dibromo derivatives of 4-hydroxyphenyl ketone as probes of the active site of the type 3 of 17β-hydroxysteroid dehydrogenase (17β-HSD3). The results support the important role of hydrogen bonding interaction in the inhibition of 17β-HSD3.

Synthesis and biochemical evaluation of a series of trifluoromethanesulfonate derivatives of 4 hydroxyphenyl ketones - Probes of the active site of type 1 and 3 of the 17β-hydroxysteroid dehydrogenase family of enzymes

In an effort to aid the design of 'dual-inhibitors' of types 1 and 3 of the 17β-hydroxysteroid dehydrogenase (17β-HSD), we report the synthesis, biochemical evaluation and rationalisation of the inhibitory activity of trifluoromethanesulfonate derivatives of 4-hydroxyphenyl ketone-based compounds which were found to be weak inhibitors of types 1 and 3.