Sodium diacetyl phosphate (CED0022062)

Record Information

Version

1.0

Creation Date

2026-04-05 05:42:19 UTC

Update Date

2026-04-05 05:42:19 UTC

SynCED ID

CED0022062

Secondary Accession Numbers

CHEM093885

Identification

Common Name

Sodium diacetyl phosphate

Class

Small Molecule

Description

Sodium diacetyl phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. It has the formula C4H7O6P and an average molecular weight of 204.05 g/mol. It is further classified within the superclass of organic acids and derivatives.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄H₇O₆P

Average Molecular Mass

204.050 g/mol

Monoisotopic Mass

181.998 g/mol

CAS Registry Number

3614-36-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[Na+].CC(=O)OP([O-])(=O)OC(C)=O

InChI Identifier

InChI=1/C4H7O6P.Na/c1-3(5)9-11(7,8)10-4(2)6;/h1-2H3,(H,7,8);/q;+1/p-1

InChI Key

CLRKHNHDNSVNJG-UHFFFAOYSA-M

Chemical Taxonomy

Classification

Not classified

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

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000733	Walking Sticks?Walking sticks, while primarily designed for mobility assistance, can be sources of synthetic chemical contamination if not properly manufactured or maintained.	Healthcare, pharmaceuticals & veterinary products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

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	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.286 Low confidence Statistical Significance 1.40e-04 Supporting Reference Compounds 2 E-value 1.08989
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.435 Statistical Significance 0.2229 Supporting Reference Compounds 407 E-value 1735.57
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.241 Low confidence Statistical Significance 0.5786 Supporting Reference Compounds 385 E-value 4504.43
Click to view 3D structure	6-phosphogluconate dehydrogenase, decarboxylating	P00349	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.225 Low confidence Statistical Significance 2.60e-04 Supporting Reference Compounds 2 E-value 2.02408
Click to view 3D structure	Isopentenyl-diphosphate Delta-isomerase 1	O35760	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 2.40e-04 Supporting Reference Compounds 1 E-value 1.86838
Click to view 3D structure	Farnesyl pyrophosphate synthase	P05369	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 2.40e-04 Supporting Reference Compounds 1 E-value 1.86838
Click to view 3D structure	Arabinose 5-phosphate isomerase KdsD	Q5NGP7	Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.225 Low confidence Statistical Significance 3.00e-04 Supporting Reference Compounds 2 E-value 2.33548
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.241 Low confidence Statistical Significance 0.7126 Supporting Reference Compounds 373 E-value 5547.61
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.241 Low confidence Statistical Significance 0.6208 Supporting Reference Compounds 297 E-value 4832.96
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.435 Statistical Significance 0.3861 Supporting Reference Compounds 193 E-value 3005.45
Click to view 3D structure	Complement factor D	P32038	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 0.0195 Supporting Reference Compounds 1 E-value 152.117
Click to view 3D structure	Fructose-bisphosphate aldolase class 2	P0AB71	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 1 E-value 8.25202
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 8.00e-05 Supporting Reference Compounds 1 E-value 0.622794
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.226 Low confidence Statistical Significance 0.4305 Supporting Reference Compounds 109 E-value 3351.8
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.241 Low confidence Statistical Significance 0.7633 Supporting Reference Compounds 310 E-value 5942.0
Click to view 3D structure	6-phosphogluconate dehydrogenase, decarboxylating, putative	P31072	Trypanosoma brucei	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.225 Low confidence Statistical Significance 4.30e-04 Supporting Reference Compounds 4 E-value 3.34752
Click to view 3D structure	1-deoxy-D-xylulose 5-phosphate reductoisomerase	P9WNS1	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.212 Low confidence Statistical Significance 0.0056 Supporting Reference Compounds 10 E-value 43.5956
Click to view 3D structure	1-deoxy-D-xylulose 5-phosphate reductoisomerase	P45568	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.212 Low confidence Statistical Significance 0.0083 Supporting Reference Compounds 11 E-value 64.6927
Click to view 3D structure	2-dehydro-3-deoxyphosphooctonate aldolase	Q9JZ55	Neisseria meningitidis serogroup B (strain MC58)	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0021 Supporting Reference Compounds 1 E-value 16.504
Click to view 3D structure	Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3	Q8WN95	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 3.40e-04 Supporting Reference Compounds 1 E-value 2.64687
Click to view 3D structure	Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	Q6P549	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 7.70e-04 Supporting Reference Compounds 1 E-value 5.99439
Click to view 3D structure	Type II inositol 1,4,5-trisphosphate 5-phosphatase	P32019	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 7.70e-04 Supporting Reference Compounds 1 E-value 5.99439
Click to view 3D structure	Aminopeptidase N	P04825	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.176 Low confidence Statistical Significance 0.0031 Supporting Reference Compounds 1 E-value 24.4447
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.241 Low confidence Statistical Significance 0.8479 Supporting Reference Compounds 266 E-value 6601.07
Click to view 3D structure	Fructose-bisphosphate aldolase A	P00883	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.194 Low confidence Statistical Significance 5.80e-04 Supporting Reference Compounds 2 E-value 4.51525