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ChemicalBook--->CAS DataBase List--->1085-12-7

1085-12-7

1085-12-7 Structure

1085-12-7 Structure
IdentificationMore
[Name]

Heptyl 4-hydroxybenzoate
[CAS]

1085-12-7
[Synonyms]

4-HYDROXYBENZOIC ACID HEPTYL ESTER
4-HYDROXYBENZOIC ACID N-HEPTYL ESTER
HEPTYL 4-HYDROXYBENZOATE
HEPTYLPARABEN
HEPTYL P-HYDROXYBENZOATE
N-HEPTYL 4-HYDROXYBENZOATE
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
Staypro WS 7
stayprows7
N-HEPTYL 4-HYDROXYBENZOATE 98%
HEPTYLPARA-HYDROXYBENZOATE
Hepty PHydroxybenzoate
m-Heptyl P-hydroxybenzoate
[EINECS(EC#)]

214-115-0
[Molecular Formula]

C14H20O3
[MDL Number]

MFCD00016481
[Molecular Weight]

236.31
[MOL File]

1085-12-7.mol
Chemical PropertiesBack Directory
[Appearance]

slightly yellow to cream crystalline powder
[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)
[form ]

Solid
[pka]

8.23±0.15(Predicted)
[color ]

White to Off-White
[Water Solubility ]

Soluble in alcohol, phenoxyethanol, propylene glycol. Insoluble in water.
[LogP]

4.830
[Uses]

Heptyl 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.
[CAS DataBase Reference]

1085-12-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 4-hydroxy-, n-heptyl ester(1085-12-7)
[EPA Substance Registry System]

1085-12-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RTECS ]

DH2202000
[TSCA ]

Yes
[HS Code ]

29182900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Toluene-->4-Hydroxybenzoic acid-->1-Heptanol
Hazard InformationBack Directory
[Description]

Hesperidin 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 Properties]

slightly yellow to cream crystalline powder
[Definition]

ChEBI: Heptyl p-hydroxybenzoate is a benzoate ester.
Spectrum DetailBack Directory
[Spectrum Detail]

Heptyl 4-hydroxybenzoate(1085-12-7)MS
Heptyl 4-hydroxybenzoate(1085-12-7)1HNMR
Heptyl 4-hydroxybenzoate(1085-12-7)13CNMR
Heptyl 4-hydroxybenzoate(1085-12-7)IR1
Heptyl 4-hydroxybenzoate(1085-12-7)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

n-Heptyl 4-hydroxybenzoate, 98%(1085-12-7)
[TCI AMERICA]

Heptyl 4-Hydroxybenzoate,>98.0%(LC)(T)(1085-12-7)
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