1085-12-7

Basic information

• Product Name: Heptyl 4-hydroxybenzoate
• Synonyms: 4-hydroxy-benzoicaciheptylester;Benzoic acid, p-hydroxy-, heptyl ester;n-Heptyl p-hydroxybenzoate;Nipaheptyl;p-Hydroxybenzoic acid heptyl ester;p-hydroxybenzoicacidheptylester;p-hydroxy-benzoicaciheptylester;p-Oxybenzoesaureheptylester
• CAS NO: 1085-12-7
• Molecular Formula: C₁₄H₂₀O₃
• Molecular Weight: 236.31
• EINECS: 214-115-0
• Product Categories: Aromatic Esters
• Mol File: 1085-12-7.mol
• Article Data: 7

Chemical Properties

• Melting Point: 46-51 °C
• Boiling Point: 338.77°C (rough estimate)
• Flash Point: 143.1ºC
• Appearance: white crystal
• Density: 1.0717 (rough estimate)
• Vapor Pressure: 1.74E-05mmHg at 25°C
• Refractive Index: 1.5800 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 8.23±0.15(Predicted)
• Water Solubility: Soluble in alcohol, phenoxyethanol, propylene glycol. Insoluble in water.
• CAS DataBase Reference: Heptyl 4-hydroxybenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Heptyl 4-hydroxybenzoate(1085-12-7)
• EPA Substance Registry System: Heptyl 4-hydroxybenzoate(1085-12-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-37
• RTECS: DH2202000
• TSCA: Yes
• Hazardous Substances Data: 1085-12-7(Hazardous Substances Data)

Usage

Description

Heptyl 4-hydroxybenzoate, also known as n-heptyl-para-hydroxybenzoate, is a chemical compound that serves as a preservative and antimicrobial agent. It is very slightly soluble in water and is commonly used in various applications to inhibit microbial spoilage.

Uses

Used in Food Industry:
Heptyl 4-hydroxybenzoate is used as a preservative and antimicrobial agent in the food industry. It is permitted in beer and may be used in fermented malt beverages to inhibit microbial spoilage.
Used in Cosmetics Industry:
Heptyl 4-hydroxybenzoate is used as a preservative in skin care and hair care products to prevent microbiological spoilage and extend the shelf life of these products.

InChI:InChI=1/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3

Upstream product

• 100-46-9 benzylamine 
• 96-09-3 styrene oxide 
• 106-41-2 4-bromo-phenol 
• 111-70-6 n-heptan1ol 
• 99-96-7 4-hydroxy-benzoic acid 
• 14180-11-1 4-(methoxycarbonyloxy)benzoic acid 
• 134447-11-3 4-Methoxycarbonyloxy-benzoic acid heptyl ester 

Downstream Products

• 1194090-80-6 C₇₂H₇₂O₁₈ 

Relevant articles and documents

Pd/C-Catalyzed Carbonylative Esterification of Aryl Halides with Alcohols by Using Oxiranes as CO Sources

A carbonylative esterification reaction between aryl bromides and alcohols, promoted by Pd/C and NaF in the presence of oxiranes, has been developed. In this process, oxiranes serve as sources of carbon monoxide by their conversion to aldehydes through a palladium-promoted Meinwald rearrangement pathway. Intramolecular versions of this process serve as methods for the synthesis of lactones and phthalimides. CO gas free! A carbonylative esterification reaction between aryl bromides and alcohols, promoted by Pd/C and NaF in the presence of oxiranes, has been developed. In this process, oxiranes serve as sources of carbon monoxide by their conversion to aldehydes through a palladium-promoted Meinwald rearrangement pathway (see scheme).

Inhibition of estrone sulfatase (ES) by alkyl and cycloalkyl ester derivatives of 4-[(aminosulfonyl)oxy] benzoic acid

In our search for potent inhibitors of the enzyme estrone sulfatase (ES), we have undertaken the synthesis and biochemical evaluation of a range of esters of 4-[(aminosulfonyl)oxy] benzoic acid. The results of the study show that the synthesised compounds possess potent inhibitory activity, indeed the cyclooctyl derivative was found to be more potent than 667-COUMATE, which is currently undergoing clinical trials.

Inhibition of estrone sulfatase (ES) by derivatives of 4-[(aminosulfonyl)oxy] benzoic acid

In our search for potent inhibitors of the enzyme estrone sulfatase (ES), we have undertaken the synthesis and biochemical evaluation of a range of straight chain alkyl esters of 4-[(aminosulfonyl)oxy] benzoic acid. The results of the study show that the synthesised compounds possess greater inhibitory activity when compared to COUMATE, although they were all found to possess lower inhibitory activity with respect to EMATE. Furthermore, the data suggest a strong correlation between logP and IC50 and therefore adds further support to our previous report where we suggested a link between inhibitory activity and hydrophobicity.