Showing Compound Calcium chloride (CaCl2) (FDB015404)

Record Information

Version

1.0

Creation date

2010-04-08 22:11:49 UTC

Update date

2018-05-29 01:18:45 UTC

Primary ID

FDB015404

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Calcium chloride (CaCl2)

Description

Calcium chloride, also known as [cacl2], belongs to the class of inorganic compounds known as alkaline earth metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a lanthanide. Based on a literature review a significant number of articles have been published on Calcium chloride.

CAS Number

10043-52-4

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
[CaCl2]	ChEBI
CaCl2	ChEBI
Calcium chloride anhydrous	ChEBI
Calcium chloride dihydrate	MeSH
Calcium chloride, anhydrous	MeSH
Chloride, calcium	MeSH
Dihydrate, calcium chloride	MeSH
Chloride dihydrate, calcium	MeSH
Anhydrous calcium chloride	biospider
Bovikalc	biospider
Calcium chloride	db_source
Calcium chloride (anhydrous)	biospider
Calcium chloride pellets	biospider
Calcium dichloride	db_source
Calcium(2+) chloride	biospider
Calcosan	biospider
Calmate r	biospider
Calol	biospider
Caloride	biospider
Calplus	biospider
Caltac	biospider
Calzina oral	biospider
Chip calcium chloride	biospider
Chrysoxel C 4	biospider
Daraccel	biospider
Dowflake	biospider
E509	db_source
Homberg's phosphorus	biospider
Huppert's reagent	biospider
Hydrochloric acid calcium salt (2:1)	biospider
Ice melt	biospider
Intergravin-orales	biospider
Jarcal	biospider
Liquical	biospider
Liquid calcium chloride	biospider
Liquidow	biospider
Marley cement accelerator	biospider
Peladow	biospider
Snomelt	biospider
Stopit	biospider
Superflake anhydrous	biospider
Sure-step	biospider
U-ramin MC	biospider
Unichem calchlor	biospider
Uramine MC	biospider

Predicted Properties

Property	Value	Source
logP	-0.57	ChemAxon
pKa (Strongest Acidic)	-7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	0 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

CaCl2

IUPAC name

calcium dichloride

InChI Identifier

InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2

InChI Key

UXVMQQNJUSDDNG-UHFFFAOYSA-L

Isomeric SMILES

[Cl-].[Cl-].[Ca++]

Average Molecular Weight

110.984

Monoisotopic Molecular Weight

109.900296569

Classification

Description

Belongs to the class of inorganic compounds known as alkaline earth metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a lanthanide.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Alkaline earth metal salts

Sub Class

Alkaline earth metal chlorides

Direct Parent

Alkaline earth metal chlorides

Alternative Parents

Substituents

Alkaline earth metal chloride
Inorganic calcium salt
Inorganic chloride salt
Inorganic salt

Molecular Framework

Not Available

External Descriptors

inorganic chloride (CHEBI:3312 )
calcium salt (CHEBI:3312 )

Ontology

No ontology term

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	Ca 36.11%; Cl 63.89%	DFC
Melting Point	Mp 782°	DFC
Boiling Point	Bp 1600°	DFC
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

24854

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

Not Available

CRC / DFC (Dictionary of Food Compounds) ID

KBW96-X:KBW96-X

EAFUS ID

Not Available

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

Not Available

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

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound Calcium chloride (CaCl2) (FDB015404)

Structure for FDB015404 (Calcium chloride (CaCl2))