基本信息
- 标准SMILES
O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
AEMOLEFTQBMNLQ-DTEWXJGMSA-N- 分子式
- C6H10O7
- 平均分子量
- 194.14 g/mol
概述
Beta-D-galacturonic acid is a D-galactopyranuronic acid with a beta-configuration at the anomeric center. It is a conjugate acid of a beta-D-galacturonate.
名称与标识
- 首选名称
- Pectin
- IUPAC
- (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
- 中文名
- D(+)-葡萄糖醛酸C
- 英文名
- D-(+)Glucuronic acid
- 分子式
- C6H10O7
- 分子量
- 194.14
名称与别名
展开更多名称
数据库标识
- CAS
18968-14-4、9000-69-5- PubChem CID
- 441476
- ChEMBL
CHEMBL2108751- ChEBI
CHEBI:47954- UNII
- 55NG3O9NDD
- EC Number
- 232-553-0、687-602-2
- Nikkaji
- J953.307I
性质
结构计算性质
- XLogP
- -2.3
- 极性表面积
- 127 Ų
- 氢键供体
- 5
- 氢键受体
- 7
- 可旋转键
- 1
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 205
实验与物化性质
Cosmetics
Cosmetic ingredients (Pectin) -> CIR (Cosmetic Ingredient Review)
Emulsion stabilizing; Binding; Viscosity controlling
Solubility
Partially soluble in cold water
DISSOLVES IN 20 PARTS OF WATER
Insol in alcohol or dil alcohol, org solvents
Almost completely soluble in 20 parts water; dissolves more readily in water, if first moistened with alcohol, glycerol or sugar syrup, or if first mixed with 3 or more pars of sucrose
Melting Point
142-144 °C
6.1ºC
物理化学性质
- 熔点
- 142 · 142-144 °C
- 沸点
- 495.2 · 495.2±45.0 °C(Predicted)
- 密度
- 1.987 · 1.987±0.06 g/cm3(Predicted)
- 酸度系数(pKa)
- 2.87 · 2.87±0.70(Predicted)
安全与法规
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 98.4% (63 of 64) of all reports.
Not Classified
Aggregated GHS information provided per 64 reports by companies from 2 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
危害信息
Regulatory Information
Chemical: Pectin
Regulation (EC) No 1333/2008 (amended)
FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.
Pectin: Does not have an individual approval but may be used under an appropriate group standard
FDA Requirements
Substance added directly to human food affirmed as generally recognized as safe (GRAS).
Kanamycin sulfate, aminopentamide hydrogen sulfate, pectin, bismuth subcarbonate, activated attapulgite suspension. ... It is administered orally to dogs for the symptomatic relief of acute bacterial diarrhea caused by kanamycin-susceptible organisms.
Kanamycin sulfate, pectin, bismuth subcarbonate, activated attapulgite tablets. ... For the treatment of bacterial enteritis caused by organisms susceptible to kanamycin and the symptomatic relief of associated diarrhea in dogs.
Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).
Hazard Classes and Categories
Not Classified
Not Classified
安全与防护
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
毒理信息
Non-Human Toxicity Excerpts
MASSIVE IV INJECTIONS PRODUCE TEMPORARY SPLENOMEGALY IN RABBITS & PARENCHYMATOUS LESIONS IN LIVER & KIDNEY OF MICE.
DIETARY LEVEL OF 2% PECTIN DEPRESSED THE GROWTH OF CHICKENS & QUAIL SIGNIFICANTLY. DIGESTIBILITY OF DIET FOR CHICKENS & QUAIL, BUT NOT FOR RATS, WAS REDUCED BY PECTIN.
... The cholesterol lowering property of pectin has ... demonstrated pectin to have antihypercholesterolemic activities in laboratory animals (rats, fowl, dogs, etc.) and in humans, with the high molecular weight and high methoxy pectin being the most active.
法规信息
FDA Requirements
Substance added directly to human food affirmed as generally recognized as safe (GRAS).
Kanamycin sulfate, aminopentamide hydrogen sulfate, pectin, bismuth subcarbonate, activated attapulgite suspension. ... It is administered orally to dogs for the symptomatic relief of acute bacterial diarrhea caused by kanamycin-susceptible organisms.
Kanamycin sulfate, pectin, bismuth subcarbonate, activated attapulgite tablets. ... For the treatment of bacterial enteritis caused by organisms susceptible to kanamycin and the symptomatic relief of associated diarrhea in dogs.
Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).
化学与工业
药理信息
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Pharmacodynamics
Pectin increases viscosity and volume of stools which helps it to be used for constipation and diarrhea. It is reported as well to present lowering effects of different body components. This effect depends on the type of pectin which indicated that this effect is related to the composition of the correspondent pectin. Nonetheless, this data is still unclear and more studies need to be performed to conclude this effect of pectin.
Mechanism of Action
Pectin is an adsorbent that binds to bacteria, toxins and other irritants in the intestinal mucosa. Pectin is able to decrease the pH in the intestinal lumen and provides a soothing effect on the irritated mucosa.
IN WIDE VARIETY OF TRIALS (SWINE, CHICKENS, RABBITS, RATS & MAN) ORAL PECTIN HAD EITHER NO EFFECT OR INCR PLASMA CHOLESTEROL IN ABSENCE OF DIETARY CHOLESTEROL, BUT EFFECTIVELY LOWERED PLASMA CHOLESTEROL...IN PRESENCE OF EXOGENOUS CHOLESTEROL BY DECR CHOLESTROL ABSORPTION FROM INTESTINAL TRACT.
MeSH Pharmacological Classification
Substances used in the processing or storage of foods or animal feed including ANTIOXIDANTS; FOOD PRESERVATIVES; FOOD COLORING AGENTS; FLAVORING AGENTS; ANTI-INFECTIVE AGENTS; EXCIPIENTS and other similarly used substances. Many of the same substances are used as PHARMACEUTIC AIDS.
Absorption, Distribution and Excretion
Pectin is not absorbed and it is not distributed in the body.
Pectin is completely excreted in the feces, including a small amount of trigalacturonic acid that can be found in the colon.
Pharmacokinetic studies have not been performed as pectin is not absorbed.
Pharmacokinetic studies have not been performed as pectin is not absorbed.
/AFTER IV INJECTION/...PECTIN IS ELIMINATED WITH DIFFICULTY & ACCUM IN CERTAIN ORGANS, EG SPLEEN, KIDNEYS, & LIVER.
IN DOG TRIALS 50% OF INJECTED MATERIAL LEFT PLASMA WITHIN 30 MIN, YET ONLY 60% OF LATTER APPEARED IN URINE WITH BALANCE UTILIZED BY BODY OR TEMPORARILY STORED IN TISSUES.
用途与制造
Uses
CIR ingredient: Pectin
Polysaccharide found in cell walls of all plants; [Merck Index] Used as emulsifying and thickening agent in foods (jams, jellies, preserves, frozen desserts) and cosmetics; Also used in dehydrating agents, protective colloids, dental adhesives, antidiarrheal preparations, and as a veterinary toxin adsorbent and protectant; [HSDB]
EMULSIFYING & THICKENING AGENT
PREPN OF FRUIT PRESERVES
Cosmetics, dehydrating agents, protective colloids, jellies, foods, drugs, emulsifying agents
GELLING AGENT IN JAMS & JELLIES & IN CONFECTIONS; STABILIZER FOR MILK PRODUCTS, FOR FROZEN DESSERTS & SOFT DRINKS; EMULSIFIER FOR SALAD DRESSING; INGREDIENT IN DENTAL ADHESIVES; PHARMACEUTICAL AGENT, PARTICULARLY IN DIARRHEA TREATMENT
U.S. Exports
(1972) 5.51X10+8 GRAMS
(1975) 3.95X10+8 GRAMS
U.S. Imports
(1972) 6.47X10+8 GRAMS
(1975) 7.45X10+8 GRAMS
U.S. Production
(1971) 3-3.5X10+9 GRAMS
(1975) No Data
Methods of Manufacturing
EXTRACTION FROM CITRUS RINDS & APPLE POMACE (THE RESIDUE REMAINING FROM THE PRESSING OF APPLES TO OBTAIN JUICE) FOLLOWED BY PURIFICATION & PRECIPITATION
By dilute-acid extraction of inner portion of rind of citrus fruits, or of fruit pomace, usually apple. Method of purification: following decolorization, extracts are concn by evaporation or pectins precipitated with alc or acetone.
Orange peel/apple pomace/lemon peel (extraction)
Formulations/Preparations
BISMUTH, PECTIN, & PAREGORIC (LEMMON). EACH TABLET CONTAINS POWDERED OPIUM 1.2 MG, BISMUTH SUBGALLATE 120 MG, PECTIN 15 MG, KAOLIN 120 MG, & ZINC PHENOLSULFONATE 15 MG.
DONNAGEL (ROBINS). EACH 30 ML OF SUSPENSION CONTAINS KAOLIN 6 G, PECTIN 142.8 MG, HYOSCYAMINE SULFATE 0.1037 MG, ATROPINE SULFATE 0.0194 MG, & SCOPOLAMINE HYDROBROMIDE 0.0065 MG (NONPRESCRIPTION).
KAOLIN MIXT WITH PECTIN. SUSPENSION; LIQ (VARIOUS MANUFACTURERS). KAOPECTATE (UPJOHN). EACH 30 ML OF SUSPENSION CONTAINS KAOLIN 5.4 G & PECTIN 120 MG (NONPRESCRIPTION). KAOPECTATE CONCN (UPJOHN). EACH 30 ML OF CONCN CONTAINS KAOLIN 8.1 G & PECTIN 180 MG (NONPRESCRIPTION).
PAREPECTOLIN (RORER). EACH 30 ML OF SUSPENSION CONTAINS OPIUM 15 MG (PAREGORIC EQUIV 3.7 ML), PECTIN 162 MG, & KAOLIN 5.5 G (NONPRESCRIPTION). PARGEL (PARKE, DAVIS). EACH 30 ML OF SUSPENSION CONTAINS KAOLIN 6 G & PECTIN 130 MG (NONPRESCRIPTION).
For more Formulations/Preparations (Complete) data for PECTIN (6 total), please visit the HSDB record page.
Use Classification
Food Additives -> EMULSIFIER; GELLING_AGENT; STABILIZER; THICKENER -> JECFA Functional Classes
Cosmetics -> Emulsion stabilizing; Binding; Viscosity controlling
General Manufacturing Information
Pectin: ACTIVE
PECTIN, USP, IS PURIFIED CARBOHYDRATE PRODUCT OBTAINED FROM ACID EXTRACTION OF RIND OF CITRUS FRUITS OR FROM APPLE POMACE.
/PECTIN/...CONSISTS CHIEFLY OF POLYGALACTURONIC ACID, SOME OF THE HYDROXYL GROUPS OF WHICH ARE METHYLATED.
A MIXTURE OF METHYL ESTERIFIED GALACTURONAN, GALACTAN & ARABAN VARYING IN PROPORTIONS IN PECTINS FROM DIFFERENT SOURCES. THE GALACTURONAN MOLECULES ARE LINKED CHEMICALLY TO SOME OF THE GALACTAN & ARABAN MOLECULES: WHISTLER, SMART, POLYSACCHARIDE CHEM (ACADEMIC PRESS, NY, 1953) PAGES 161-197.
TOTAL HYDROLYSIS OF PECTIN YIELDS D-GALACTURONIC ACID, METHYL ALC & SMALL AMT OF GALACTOSE & ARABINOSE. CARBOXYL GROUPS ARE EITHER FREE OR ESTERIFIED WITH METHYL GROUPS & IN NATURAL PECTINS ABOUT 20-60% OF CARBOXYL GROUPS ARE ESTERIFIED...
For more General Manufacturing Information (Complete) data for PECTIN (7 total), please visit the HSDB record page.
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