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Bis(D-gluconato-O1,O2)zinc

HCID 20543
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Basic information

CAS
4468-02-4
Standard SMILES
O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Zn]
InChIKey
ZSKINHGFQOKUDM-IYEMJOQQSA-N
Molecular formula
C12H24O14Zn
Average molar mass
457.7 g/mol
Monoisotopic mass
456.045747

Overview

Zinc(II) gluconate is a dietary zinc supplement.

Names & identifiers

Preferred name
Bis(D-gluconato-O1,O2)zinc
IUPAC
bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);zinc
English name
Zinc gluconate
Molecular formula
C12H22O14Zn
Molecular weight
455.69

Names & synonyms

Bis(D-gluconato-O1,O2)zincRefChem:569037Zinc(II) Gluconate Hydrategluconate zincPleo zincHelshas ZnZinc VerlaGivobio G ZnBioZn-AASUNII-U6WSN5SQ1ZZinc bis(D-gluconato-O1,O2)HSDB 1054
Show more names
RubozincZinc gluconatZinc dihexonatezinc(ii) gluconaterubozineAids002622Aids-002622Zinc complex
Zinc, bis(D-gluconato-O1,O2)-EINECS 224-736-9Bis(D-gluconato-O(sup 1),O(sup 2))zincBis(D-gluconato-O(sup 1),O(sup 2)) zincZinc, bis(D-gluconato-O(sup 1),O(sup 2))-Bis(D-gluconato-O1,O2) zinc (2) zinc D-gluconate (1:2)

Database identifiers

CAS
4468-02-4
PubChem CID
20543
EC Number
224-736-9

Properties

Computed structural properties

Topological polar surface area
277 Ų
Hydrogen bond donors
12
Hydrogen bond acceptors
14
Rotatable bonds
10
Heavy atoms
27
Formal charge
0
Complexity
385

Experimental & physicochemical properties

CosmeticsDeodorant; Skin conditioning

Physicochemical properties

Melting point
172 · 172-175 °C
Boiling point
319 °C · 319°C
Density
1.44 · 1.44[at 20℃]
vapor pressure
0 Pa · 0Pa at 20℃
storage temp.
-20 °C · Store at -20°C
solubility
Soluble in water, practically insoluble in anhydrous ethanol and in methylene chloride.
form
powder to crystal
color
White to Almost white
Water Solubility
100 g/ · Soluble in water 100g/ l.
Merck
14 · 14,4456
Cosmetics Ingredients Functions
ORAL CAREANTIMICROBIALSKIN CONDITIONINGDEODORANT
InChI
InChI=1/2C6H12O7.Zn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/s3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 14.7% (39 of 266) of reports.

Danger

H318 (81.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 266 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: Bis(D-gluconato-O1,O2)zinc (EC: 224-736-9)
Hazard Classes and CategoriesEye Dam. 1 (81.6%)

Safety & protection

Minimum Risk LevelIntermediate Oral: 0.3 mg/kg/day (L134) Chronic Oral: 0.3 mg/kg/day (L134)

Toxicology

TreatmentZinc poisoning is treated symptomatically, often by administering fluids such as water or milk, or with gastric lavage. (L49)
Health EffectsChronic exposure to zinc causes anemia, atazia, lethargy, and decreases the level of good cholesterol in the body. It is also believed to cause pancreatic and reproductive damage. (L49)
Exposure RoutesInhalation (L49) ; oral (L49) ; dermal (L49)

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 1 item

Zinc can enter the body through the lungs, skin, and gastrointestinal tract. Intestinal absorption of zinc is controlled by zinc carrier protein CRIP. Zinc also binds to metallothioneins, which help prevent absorption of excess zinc. Zinc is widely distributed and found in all tissues and tissues fluids, concentrating in the liver, gastrointestinal tract, kidney, skin, lung, brain, heart, and pancreas. In the bloodstream zinc is found bound to carbonic anhydrase in erythrocytes, as well as bound to albumin, _2-macroglobulin, and amino acids in the the plasma. Albumin and amino acid bound zinc can diffuse across tissue membranes. Zinc is excreted in the urine and faeces. (L49)

Uses & manufacturing

UsesZinc gluconate is used in dietary supplements. (L66)
Use ClassificationCosmetics -> Deodorant; Skin conditioning
Applications · 4 items

UsesZinc gluconate is an excellent nutrient zinc enhancer, having significant effect for the intellectual and physiological development of infants and young people with its absorption effect being better than inorganic zinc. China provides that it can be used for salt with the usage amount of 800~1000mg/kg; 230~470mg/kg in dairy product; 195~545mg/kg in infant and child food; in cereals and their products: 160~320mg/kg; 40 to 80 mg/kg in beverages and milk beverages.

UsesChelating agent. In high alkalinity bottle washes and other cleansers; in finish removers; in the tanning and textile industry.

UsesZinc gluconate hydrate is used as a food additive, a pharmaceutical intermediate.

Useszinc gluconate helps maintain the skin in good condition and acts as a deodorant by preventing the growth of micro-organisms, such as bacteria, fungi or yeast, in a formulation. Zinc gluconate could also be effectively used in anti-acne products.

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
InChIKey
WHMDKBIGKVEYHS-ATBKJFGMNA-L
SMILES
[C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)C(=O)O[Zn]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |&1:0,2,4,8,17,19,21,23,r|
LogP
-7.41 at · -7.41 at 20℃
CAS DataBase Reference
4468 · 4468-02-4(CAS DataBase Reference)
SCOGS (Select Committee on GRAS Substances)
Zinc gluconate
Substances Added to Food (formerly EAFUS)
ZINC GLUCONATE
FDA 21 CFR
182.8988 · 182.8988; 582.5988
EWG's Food Scores
2 · 2-3
FDA UNII
6 WSN5SQ1Z · U6WSN5SQ1Z
NCI Drug Dictionary
zinc gluconate
ATC code
12 CB02 · A12CB02
EPA Substance Registry System
Zinc, bis(D-gluconato-.kappa.O1,.kappa.O2)-, (T-4)- (4468-02-4)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
501 · P501-P270-P264-P301+P312+P330
RTECS
3750000 · ZH3750000
TSCA
TSCA listed
HS Code
29181600 · 29181600
Hazardous Substances Data
4468 · 4468-02-4(Hazardous Substances Data)
REACH Registrations
Active
Toxicity Summary · 1 item

Anaemia results from the excessive absorption of zinc suppressing copper and iron absorption, most likely through competitive binding of intestinal mucosal cells. Unbalanced levels of copper and zinc binding to Cu,Zn-superoxide dismutase has been linked to amyotrophic lateral sclerosis (ALS). Stomach acid dissolves metallic zinc to give corrosive zinc chloride, which can cause damage to the stomach lining. Metal fume fever is thought to be an immune response to inhaled zinc. (L48, L49, A49)

Signs and Symptoms · 1 item

Ingestion of large doses of zinc causes stomach cramps, nausea, and vomiting. Acute inhalation of large amounts of zinc causes metal fume fever, which is characterized by chills, fever, headache, weakness, dryness of the nose and throat, chest pain, and coughing. Dermal contact with zinc results in skin irritation. (L49)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Safety data

tsca
TSCA listed
rtecs
ZH3750000
hs_code
29181600
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
REACH Registrations
Active
Precautionary statements
P501-P270-P264-P301+P312+P330
Hazardous Substances Data
4468-02-4(Hazardous Substances Data)

Upstream & downstream products

Upstream raw materials

Gluconate solutionstrongly acidic type cation exchange resinCalcium gluconateGluconic acidZinc oxideZinc hydroxideWaterSodium gluconate

Additional notes

DefinitionChEBI: Zinc gluconate is a L-alpha-D-Hepp-(1->7)-L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo.