4-(Trimethoxysilyl)butyronitrile (CED0185054)

Record Information

Version

1.0

Creation Date

2026-04-05 03:23:08 UTC

Update Date

2026-08-23 22:14:34 UTC

SynCED ID

CED0185054

Secondary Accession Numbers

CHEM091365

Identification

Common Name

4-(Trimethoxysilyl)butyronitrile

Class

Small Molecule

Description

4-(Trimethoxysilyl)butyronitrile is an organic compound with the formula C7H15NO3Si and an average molecular weight of 189.29 g/mol. 4-(Trimethoxysilyl)butyronitrile belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. It has been identified as being found in or released from one recorded source: Electrical & Electronic Equipment (Antennas).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₅NO₃Si

Average Molecular Mass

189.286 g/mol

Monoisotopic Mass

189.082 g/mol

CAS Registry Number

55453-24-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CO[Si](CCCC#N)(OC)OC

InChI Identifier

InChI=1/C7H15NO3Si/c1-9-12(10-2,11-3)7-5-4-6-8/h4-5,7H2,1-3H3

InChI Key

FPJPAIQDDFIEKJ-UHFFFAOYSA-N

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

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2743.0 Log mg/kg [1500:4900]	Rat	LD50	oral	predicted	Not Available	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
CEDs000070	Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.	Automotive & urban infrastructure	PubChem
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
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
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	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
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	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
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber 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	Cathepsin S	P25774	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.196 Low confidence Statistical Significance 0.6657 Supporting Reference Compounds 141 E-value 5182.66
Click to view 3D structure	Cathepsin K	P43235	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.196 Low confidence Statistical Significance 0.6127 Supporting Reference Compounds 129 E-value 4769.82
Click to view 3D structure	Papain	P00784	Carica papaya	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.196 Low confidence Statistical Significance 0.2096 Supporting Reference Compounds 35 E-value 1632.03
Click to view 3D structure	Procathepsin L	P25975	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.18 Low confidence Statistical Significance 0.1462 Supporting Reference Compounds 12 E-value 1138.08
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.196 Low confidence Statistical Significance 0.7401 Supporting Reference Compounds 173 E-value 5761.78
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.18 Low confidence Statistical Significance 0.7812 Supporting Reference Compounds 167 E-value 6081.5
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.179 Low confidence Statistical Significance 0.9941 Supporting Reference Compounds 1538 E-value 7739.07
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.192 Low confidence Statistical Significance 0.9815 Supporting Reference Compounds 1157 E-value 7641.29
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.28 Low confidence Statistical Significance 0.8985 Supporting Reference Compounds 315 E-value 6995.06
Click to view 3D structure	Cruzipain	P25779	Trypanosoma cruzi	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.18 Low confidence Statistical Significance 0.7084 Supporting Reference Compounds 65 E-value 5514.92
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.192 Low confidence Statistical Significance 0.9781 Supporting Reference Compounds 906 E-value 7614.82
Click to view 3D structure	Cathepsin K	P43236	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.173 Low confidence Statistical Significance 0.4067 Supporting Reference Compounds 17 E-value 3166.13
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.192 Low confidence Statistical Significance 0.9753 Supporting Reference Compounds 742 E-value 7592.71
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.175 Low confidence Statistical Significance 0.9689 Supporting Reference Compounds 541 E-value 7542.81
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.172 Low confidence Statistical Significance 0.9109 Supporting Reference Compounds 185 E-value 7091.52
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.179 Low confidence Statistical Significance 0.9308 Supporting Reference Compounds 139 E-value 7246.13
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.175 Low confidence Statistical Significance 0.9953 Supporting Reference Compounds 1498 E-value 7748.41
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P30994	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.162 Low confidence Statistical Significance 0.6145 Supporting Reference Compounds 40 E-value 4783.68
Click to view 3D structure	Serine/threonine-protein kinase Chk2	O96017	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.172 Low confidence Statistical Significance 0.9762 Supporting Reference Compounds 537 E-value 7599.56
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.172 Low confidence Statistical Significance 0.9854 Supporting Reference Compounds 967 E-value 7670.95
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.172 Low confidence Statistical Significance 0.9866 Supporting Reference Compounds 1029 E-value 7680.92
Click to view 3D structure	Ribosomal protein S6 kinase beta-1	P23443	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.172 Low confidence Statistical Significance 0.9824 Supporting Reference Compounds 590 E-value 7648.06
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.175 Low confidence Statistical Significance 0.9919 Supporting Reference Compounds 955 E-value 7722.18
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.172 Low confidence Statistical Significance 0.9554 Supporting Reference Compounds 380 E-value 7437.4
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.167 Low confidence Statistical Significance 0.9905 Supporting Reference Compounds 1158 E-value 7710.65