Showing Compound Zinc acetate (FDB015392)

Record Information

Version

1.0

Creation date

2010-04-08 22:11:49 UTC

Update date

2018-05-29 01:18:40 UTC

Primary ID

FDB015392

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Zinc acetate

Description

Nutrient supplement Zinc acetate is the chemical compound with the formula Zn(O2CCH3)2, which commonly occurs as a dihydrate Zn(O2CCH3)2(H2O)2. Both the hydrate and the anhydrous forms are colorless solids that are commonly used in chemical synthesis and as dietary supplements. Zinc acetates are prepared by the action of acetic acid on zinc carbonate or zinc metal. When used as a food additive, it has the E number E650.

CAS Number

557-34-6

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Acetic acid, zinc salt	ChEBI
Acetic acid, zinc salt (2:1)	ChEBI
Acetic acid, zinc(II) salt	ChEBI
Dicarbomethoxyzinc	ChEBI
Zinc acetate anhydrous	ChEBI
Zinc di(acetate)	ChEBI
Zinc diacetate	ChEBI
Zinc(II) acetate	ChEBI
ZN(II)ac2	ChEBI
ZN(OAc)2	ChEBI
Acetate, zinc salt	Generator
Acetate, zinc salt (2:1)	Generator
Acetate, zinc(II) salt	Generator
Zinc acetic acid anhydrous	Generator
Zinc di(acetic acid)	Generator
Zinc diacetic acid	Generator
Zinc(II) acetic acid	Generator
Zinc acetic acid	Generator
Zinc(2+) ion diacetic acid	Generator
Zinc acetate, anhydrous	MeSH
Anhydrous zinc acetate	MeSH
Zinc acetate dihydrate	MeSH
Galzin	MeSH
E650	db_source

Predicted Properties

Property	Value	Source
Water Solubility	49.9 g/L	ALOGPS
logP	0.2	ALOGPS
logP	-0.22	ChemAxon
logS	-0.57	ALOGPS
pKa (Strongest Acidic)	4.54	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	40.13 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	23.48 m³·mol⁻¹	ChemAxon
Polarizability	4.96 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

C4H6O4Zn

IUPAC name

zinc(2+) ion diacetate

InChI Identifier

InChI=1S/2C2H4O2.Zn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2

InChI Key

DJWUNCQRNNEAKC-UHFFFAOYSA-L

Isomeric SMILES

[Zn++].CC([O-])=O.CC([O-])=O

Average Molecular Weight

183.497

Monoisotopic Molecular Weight

181.955755258

Classification

Description

Belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acids

Direct Parent

Carboxylic acids

Alternative Parents

Substituents

Monocarboxylic acid or derivatives
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Not Available

External Descriptors

zinc molecular entity (CHEBI:62984 )
acetate salt (CHEBI:62984 )

Ontology

Physiological effect

Organoleptic effect:

Taste:

Astringent

Health effect:

Health condition:

Blood and lymphatic system disorders:

Anemia

General disorders and administration site conditions:

Pain

Nervous system disorders:

Gastrointestinal disorders:

Ingestion

Source:

Food

Biological location:

Subcellular:

Cytoplasm

Cell and elements:

Extracellular

Role

Industrial application:

Food and nutrition

Environmental role:

Air pollutant

Biological role:

Nutrient

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	liquid
Physical Description	Not Available
Mass Composition	C 26.19%; H 3.30%; O 34.88%; Zn 35.64%	DFC
Melting Point	Mp 242°	DFC
Boiling Point	Subl.150 200°	DFC
Experimental Water Solubility	303 mg/mL	MERCK INDEX (1996)
Experimental logP	-0.17	HANSCH,C ET AL. (1995)
Experimental pKa	4.76 at 25 °C
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

Not Available

External Links

ChemSpider ID

Not Available

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

11192

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB36495

CRC / DFC (Dictionary of Food Compounds) ID

KBT02-D:KBT02-D

EAFUS ID

3902

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Zinc_acetate

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Not Available

Files

MSDS

show

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound Zinc acetate (FDB015392)

Structure for FDB015392 (Zinc acetate)