Showing Compound Calcium acetate (FDB015443)

Record Information

Version

1.0

Creation date

2010-04-08 22:11:51 UTC

Update date

2018-05-29 01:19:00 UTC

Primary ID

FDB015443

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Calcium acetate

Description

It is used in foods as a firming agent, acidity regulator, sequestrant, stabiliser and thickener, and nutrient supplement (Ca source). It is used as an acidifier/preservative in bread, and in some gelling mixtures Calcium acetate is a food additive, mainly in candy products.; Calclacite is a name for calcium acetate chloride pentahydrate, which is treated as mineral species but possess anthropogenic origin.; Patients with advanced renal insufficiency (creatinine clearance less than 30 ml/min) exhibit phosphate retention and some degree of hyperphosphatemia. The retention of phosphate plays a pivotal role in causing secondary hyperparathyroidism associated with osteodystrophy, and soft-tissue calcification. The mechanism by which phosphate retention leads to hyperparathyroidism is not clearly delineated. Therapeutic efforts directed toward the control of hyperphosphatemia include reduction in the dietary intake of phosphate, inhibition of absorption of phosphate in the intestine with phosphate binders, and removal of phosphate from the body by more efficient methods of dialysis. The rate of removal of phosphate by dietary manipulation or by dialysis is insufficient. Dialysis patients absorb 40% to 80% of dietary phosphorus. Therefore, the fraction of dietary phosphate absorbed from the diet needs to be reduced by using phosphate binders in most renal failure patients on maintenance dialysis. Calcium acetate when taken with meals combines with dietary phosphate to form insoluble calcium phosphate which is excreted in the feces. Maintenance of serum phosphorus below 6.0 mg/dl is generally considered as a clinically acceptable outcome of treatment with phosphate binders. Calcium acetate is highly soluble at neutral pH, making the calcium readily available for binding to phosphate in the proximal small intestine.

CAS Number

62-54-4

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Acetate OF lime	ChEBI
Brown acetate OF lime	ChEBI
Ca(oac)2	ChEBI
Calcium ethanoate	ChEBI
Calcium(II) acetate	ChEBI
Gray acetate OF lime	ChEBI
Lime acetate	ChEBI
Lime pyrolignite	ChEBI
Phoslo	Kegg
Acetic acid OF lime	Generator
Brown acetic acid OF lime	Generator
Calcium ethanoic acid	Generator
Calcium(II) acetic acid	Generator
Gray acetic acid OF lime	Generator
Lime acetic acid	Generator
Calcium acetic acid	Generator
Acetic acid, calcium salt	MeSH
Acetic acid, calcium salt (2:1)	MeSH
Acetate of lime	biospider
Acetic acid, calcium salt, 8CI	db_source
Brown acetate	biospider
Brown acetate of lime	biospider
Calcarea acetica	biospider
Calcium acetate (usp)	biospider
Calcium acetate [usan:jan]	biospider
Calcium acetate hydrate	biospider
Calcium acetate monohydrate	biospider
Calcium acetate tallowate	biospider
Calcium acetateultra pure	biospider
Calcium di(acetate)	biospider
Calcium diacetate	biospider
Calcium, acetate hydrogenated tallow fatty acids complexes	biospider
E263	db_source
Ethanoic acid, calcium salt	db_source
Gray acetate	biospider
Gray acetate of lime	biospider
Grey acetate	biospider
Phoslo (TN)	biospider
Procalamine	biospider
Pyrolignite of lime	biospider
Sorbo-calcion	biospider
Teltozan	biospider
Vinegar salts	biospider

Predicted Properties

Property	Value	Source
Water Solubility	147 g/L	ALOGPS
logP	0.24	ALOGPS
logP	-0.22	ChemAxon
logS	-0.03	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

C4H6CaO4

IUPAC name

calcium diacetate

InChI Identifier

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

InChI Key

VSGNNIFQASZAOI-UHFFFAOYSA-L

Isomeric SMILES

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

Average Molecular Weight

158.166

Monoisotopic Molecular Weight

157.989199835

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

calcium salt (CHEBI:3310 )

Ontology

No ontology term

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	C 30.38%; H 3.82%; Ca 25.34%; O 40.46%	DFC
Melting Point	160 °C (decomposition to acetone)
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
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

6116

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

DB00258

HMDB ID

Not Available

CRC / DFC (Dictionary of Food Compounds) ID

KCB81-V:KCB81-V

EAFUS ID

446

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

rw1007931

SuperScent ID

Not Available

Wikipedia ID

Calcium_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

Flavor	Citations
mild	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
acetic	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound Calcium acetate (FDB015443)

Structure for FDB015443 (Calcium acetate)