Heptyl p-hydroxybenzoate

HCID 14138CAS 1085-12-7

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Basic information

Standard SMILES
CCCCCCCOC(=O)c1ccc(O)cc1
InChIKey
ZTJORNVITHUQJA-UHFFFAOYSA-N
Molecular formula
C14H20O3
Average molar mass
236.311 g/mol
Monoisotopic mass
236.1412445

Names & identifiers

Preferred name
Heptyl p-hydroxybenzoate
IUPAC
Heptyl 4-hydroxybenzoate
English name
Heptyl 4-hydroxybenzoate
Molecular formula
C14H20O3
Molecular weight
236.31

Names & synonyms

HEPTYLPARABENN-HEPTYL 4-HYDROXYBENZOATENipaheptylstayprows7Staypro WS 7G-hydroxy acid esterHepty PHydroxybenzoateHEPTYL 4-HYDROXYBENZOATEHEPTYL P-HYDROXYBENZOATEn-Heptyl p-hydroxybenzoate

Database identifiers

CAS
1085-12-7
PubChem CID
14138
DTXSID
DTXSID4022523
ChEMBL
CHEMBL3186719
ChEBI
CHEBI:34788
UNII
K2CIJ448IX
EC Number
214-115-0
Nikkaji
J87.217B

Properties

Physicochemical properties

Melting point
46 · 46-51 °C
Boiling point
338.77 °C · 338.77°C (rough estimate)
Density
1.0717 · 1.0717 (rough estimate)
refractive index
1.58 · 1.5800 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

Safety data

wgk
WGK 3
tsca
TSCA listed
rtecs
DH2202000
hs_code
29182900
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications · 4 items

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.

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.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]

Additional notes

DefinitionChEBI: Heptyl p-hydroxybenzoate is a benzoate ester.

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