1987-50-4

Basic information

• Product Name: 4-N-HEPTYLPHENOL
• Synonyms: 4-heptyl-pheno;Phenol,4-heptyl-;p-Heptylphenol;4-n-Heptylphenol, 98+%;PARA-N-HEPTYLPHENOL;PARA-HEPTYLPHENOL;4-Heptylphenol,98%;4-(Hept-1-yl)phenol
• CAS NO: 1987-50-4
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.3
• EINECS: 217-862-0
• Product Categories: Aromatic Phenols;Alkylphenols (Environmental Endocrine Disruptors);Analytical Chemistry;Building Blocks for Liquid Crystals;Environmental Endocrine Disruptors;Functional Materials;Phenols (Building Blocks for Liquid Crystals)
• Mol File: 1987-50-4.mol
• Article Data: 7

Chemical Properties

• Melting Point: 26-28 °C
• Boiling Point: 156 °C (9 mmHg)
• Flash Point: 156°C/9mm
• Appearance: clear brown liquid after melting
• Density: 0.9402 (estimate)
• Refractive Index: 1.506-1.508
• Storage Temp.: Refrigerator
• Solubility: Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
• PKA: 10.16±0.15(Predicted)
• Water Solubility: 11.11mg/L(25 oC)
• CAS DataBase Reference: 4-N-HEPTYLPHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-N-HEPTYLPHENOL(1987-50-4)
• EPA Substance Registry System: 4-N-HEPTYLPHENOL(1987-50-4)

Safety Data

• Hazard Codes: C
• Statements: 34-41
• Safety Statements: 45-36/37/39-26-39
• RIDADR: 2430
• TSCA: Yes
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 1987-50-4(Hazardous Substances Data)

Usage

Chemical Properties

clear brown liquid after melting

Uses

4-Heptylphenol exhibits estrogenic activity and has the potential to mimic the effects of natural steroid hormones relating to the disruption of the endocrine system in animals. Recently, this compound has been found among a broad cocktail of environmental pollutants in eggs of three seabird species from remote colonies in Norway.

InChI:InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3

Upstream product

• 111-71-7 heptanal 
• 108-95-2 phenol 
• 106-41-2 4-bromo-phenol 
• 13125-66-1 n-heptylmagnesium bromide 
• 106379-86-6 1-(4-hydroxy-phenyl)-heptan-1-ol 
• 56052-14-3 heptanoic acid phenyl ester 
• 2528-61-2 Heptanoic acid chloride 
• 111-25-1 1-bromo-hexane 
• 4397-53-9 p-benzyloxybenzaldehyde 
• 14392-72-4 4-heptanoylphenol 
• 92368-72-4 1-heptyl-4-methoxybenzene 

Downstream Products

• 869650-49-7 O-p-heptylphenyl N,N-dimethylthiocarbamate 
• 61733-27-5 4-(4-isopropylphenyl)-benzoic acid 4'-n-heptylphenyl ester 
• 1078-71-3 heptylbenzene 
• 1448537-54-9 (S)-3-(4-n-heptylphenoxy)-propane-1,2-diol 
• 1448537-47-0 1-(allyloxy)-4-n-heptylbenzene 
• 146519-46-2 3-(4-n-heptylphenoxy)-propane-1,2-diol 
• 1267646-08-1 N-phenyl carbamic acid (p-heptylphenyl) ester 
• 1266555-03-6 toluene-2,4-di(carbamic acid (p-heptylphenyl) ester) 
• 1266554-98-6 N,N'-(4,4'-methanediyl-diphenyl)-di(carbamic acid (p-heptylphenyl) ester) 
• 1266554-91-9 N,N'-hexanediyl-di(carbamic acid(p-heptylphenyl) ester) 
• 1266554-70-4 N,N'-hexanediyldicarbamic acid di(4-(1,1,3,3-tetramethylbutyl)phenyl) ester 
• 376642-76-1 2-(4-Benzyloxyphenyl)-1-[3-(4-heptylphenoxy)propyl]-5-methyl-1H-pyrrole 
• 81259-63-4 4-Hexyloxy-benzoic acid 4-heptyl-2-nitro-phenyl ester 

Relevant articles and documents

Iron-catalyzed reductive dehydroxylation of benzylic alcohols using polymethylhydrosiloxane (PMHS)

The combination of FeCl3 and PMHS is an efficient reducing system for the selective dehydroxylation of secondary benzylic alcohols, even in the presence of carbonyls, under very mild conditions. Georg Thieme Verlag Stuttgart · New York.

Palladium catalyzed cross-coupling reaction of Grignard reagents with halobenzoic acids, halophenols and haloanilines

Convenient syntheses of substituted benzoic acids, phenols and anilines have been achieved by using palladium catalyzed cross-coupling reactions between Grignard reagents and aryl halides containing carboxy, hydroxy and amino groups without a protection-deprotection sequence.

A quantitative structure-activity relationship for antitumor activity of long-chain phenols from Ginkgo biloba L.

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