Calcium diethanolate (CED0148308)

Record Information

Version

1.0

Creation Date

2026-04-05 19:42:00 UTC

Update Date

2026-04-05 19:42:00 UTC

Accession Number

CHEM107415

Identification

Common Name

Calcium diethanolate

Class

Small Molecule

Description

Calcium diethanolate belongs to the organic calcium salts, a subclass of organic metal salts within the organic compounds. This organic salt has the chemical formula C2H6O.1/2Ca.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Calcium diethanolic acid	Generator

Chemical Formula

C₂H₆O.₁/₂Ca

Average Molecular Mass

Not Available

Monoisotopic Mass

Not Available

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/2C2H5O.Ca/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2

InChI Key

JHLCADGWXYCDQA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as organic calcium salts. These are organic salts containing a calcium ion.

Kingdom

Organic compounds

Super Class

Organic salts

Class

Organic metal salts

Sub Class

Organic calcium salts

Direct Parent

Organic calcium salts

Alternative Parents

Substituents

Organic calcium salt
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic zwitterion
Alkoxide
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
248.0	Log mg/kg	[140:440]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
678	Nitrogenous Fertilisers	Agriculture & land management	Not Available
679	Phosphatic Fertilisers	Agriculture & land management	Not Available
685	Ceramics	Building & Construction	Not Available
688	Glass Coatings	Building & Construction	Not Available
691	Non Oxide Glass	Building & Construction	Not Available
692	Silica Free Oxide Glass	Building & Construction	Not Available
693	Silica Glass	Building & Construction	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Phospholipase B	Q9P8P2	Cryptococcus neoformans	Predicted (SEA)	26.7801
Click to view 3D structure	Gasdermin-D	P57764	Humans	Predicted (SEA)	4.67095
Click to view 3D structure	Gasdermin-D	Q9D8T2	Mus musculus	Predicted (SEA)	4.67095
Click to view 3D structure	Farnesyl pyrophosphate synthase	P14324	Humans	Predicted (SEA)	2262.61
Click to view 3D structure	Farnesyl pyrophosphate synthase	Q0GKD7	Leishmania donovani	Predicted (SEA)	592.433
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Predicted (SEA)	1052.21
Click to view 3D structure	Carbamate kinase	O97438	Giardia intestinalis	Predicted (SEA)	6.07224
Click to view 3D structure	Solute carrier family 22 member 2	Q9R0W2	Rattus norvegicus	Predicted (SEA)	438.135
Click to view 3D structure	Free fatty acid receptor 3	B2GV46	Rattus norvegicus	Predicted (SEA)	100.893
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH7	P40394	Humans	Predicted (SEA)	122.846
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7681.85
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	7716.49
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	7569.2
Click to view 3D structure	Solute carrier family 22 member 1	O08966	Mus musculus	Predicted (SEA)	49.6678
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	7620.89
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7757.67
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7738.99
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	7763.67
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	7773.87
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	7765.62
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	7774.41
Click to view 3D structure	Troponin C, slow skeletal and cardiac muscles	P63316	Humans	Predicted (SEA)	820.609
Click to view 3D structure	Organic anion transporter 3	O88909	Mus musculus	Predicted (SEA)	2047.2
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	92.8741
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	7633.82