Heptyl 4-hydroxybenzoate

Heptyl 4-hydroxybenzoate 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:1085-12-7
MF:C14H20O3
MW:236.31
EINECS:214-115-0
Product Categories:Aromatic Esters
Mol File:1085-12-7.mol
Heptyl 4-hydroxybenzoate Structure
Heptyl 4-hydroxybenzoate Chemical Properties
Melting point 46-51 °C
Boiling point 338.77°C (rough estimate)
density 1.0717 (rough estimate)
refractive index 1.5800 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Slightly), Methanol (Slightly)
pka8.23±0.15(Predicted)
form Solid
color White to Off-White
Water Solubility Soluble in alcohol, phenoxyethanol, propylene glycol. Insoluble in water.
LogP4.830
CAS DataBase Reference1085-12-7(CAS DataBase Reference)
NIST Chemistry ReferenceBenzoic acid, 4-hydroxy-, n-heptyl ester(1085-12-7)
EPA Substance Registry SystemBenzoic acid, 4-hydroxy-, heptyl ester (1085-12-7)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 37/39-26-37
RTECS DH2202000
TSCA Yes
HS Code 29182900
MSDS Information
ProviderLanguage
ACROS English
ALFA English
Heptyl 4-hydroxybenzoate Usage And Synthesis
DescriptionHesperidin is one of a large group of bio-flavonoids isolated from citrus fruits. Flavonoids comprise a group of naturally occurring compounds which are among the most ubiquitous in the plant kingdom. The basic flavone structure consists of 1,4-benzopyrone with a phenyl substitution in the 2-position. Flavonoids differ in the number and position of substitutions on the aromatic rings and in the extent and character of oxidation in the pryone portion of the molecule. Hydroxyl groups enable flavonoids to combine with sugars to form glycosides, and it is in this form that the flavonoids are usually found in nature. Glucose is the most common prosthetic group, although other sugars, as well as glucuronic and galacturonic acids, have been identified. Hesperetin is the aglycone remaining following hydrolysis from the prosthetic group.
Hesperidin complex is a crude hesperidin preparation obtained by extraction of the albedo of orange peel with calcium hydroxide solution. On acidification with hydrochloric acid to pH about 4.5, hesperidin precipitates as a crystalline material along with other co-precipitated flavonoids. The precipitate is washed to remove non-flavonoid ballast, and then spray dried. Average hesperidin content is 72%; naringenin-7-rutinoside, 4.4%; isosakuranetin- 7-rutinoside, 4.2%; and less than 1% naringenin-7-rutinoside-4’- glucoside, eriocitrin, sinensetin, bobeletin, tangeretin, and several unidentified polymethoxylated flavones. It contains no rutin. The powdered precipitate is nonhygroscopic; its weight loss on drying is 2-5%; sulfated ash, 2-4%; and methoxyl content, 3.3-3.7%.
Purified hesperidin is prepared from hesperidin complex by dissolving the crystals in calcium hydroxide solution and precipitating by acidification with hydrochloric acid. More than one cycle of dissolution and precipitation may be needed to achieve the minimum hesperidin content of 80% specified for the purified product. Most purified product is stated to have a hesperidin content of 90%.
Hesperidin is practically tasteless. Presumably through its action as an antioxidant, hesperidin has been reported to delay flavor deterioration of milk-based beverages, thereby extending shelf life by 6-12 months. Hesperidin also is used as a reagent in the refining and reclaiming of lead and zinc, and as a raw material in the production of the dihydrochalcone of neohesperidin, a nonnutritive sweetener.


Chemical Propertiesslightly yellow to cream crystalline powder
UsesFood additive.
UsesHeptyl 4-hydroxybenzoate is a preservative and antimicrobial agent. It is very slightly soluble in water. It may be used in fermented malt beverages to inhibit microbial spoilage and is permitted in beer. It is also termed n-heptyl-para-hydroxybenzoate.
Usesn-Heptyl 4-hydroxybenzoate is used for inhibiting microbiological spoilage, used as preservatives, skin care, hair care.
DefinitionChEBI: Heptyl p-hydroxybenzoate is a benzoate ester.
Heptyl 4-hydroxybenzoate Preparation Products And Raw materials
Raw materialsToluene-->4-Hydroxybenzoic acid-->1-Heptanol
Methylparaben Dodecyl 4-hydroxybenzoate 4-Hydroxybenzoic acid Salicylic acid 2'-Hydroxy-3-phenylpropiophenone Hexadecyl 3,4,5-trihydroxybenzoate Reserpine 3-Hydroxybenzoic acid Cefpodoxime proxetil SYROSINGOPINE DECYL GALLATE Butylparaben Isopropylparaben 8-(DIETHYLAMINO)OCTYL 3,4,5-TRIMETHOXYBENZOATE HYDROCHLORIDE Methyl salicylate Octyl gallate Benzyl benzoate Heptyl 4-hydroxybenzoate

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