Trimethylsilanol (CED0016400)

Record Information

Version

1.0

Creation Date

2016-05-19 02:59:48 UTC

Update Date

2026-08-22 12:24:41 UTC

Accession Number

CHEM009188

Identification

Common Name

Trimethylsilanol

Class

Small Molecule

Description

Trimethylsilanol is a compound with the formula C3H10OSi and an average molecular weight of 90.20 g/mol. Trimethylsilanol belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. This substance is found in or released from 18 recorded sources. These sources include electrical and electronic equipment, specifically contacts, coils, antennas, adjustable resistors, and discharge lamps, among five others. Within the food, food processing and cookware category, it is associated with food contact materials, the preparation of malt, the preparation of wine or sparkling wine, and fermentation processes for beer. In the building and construction sector, it is linked to ceilings, tents or canopies, and stairs and ramps, as well as fencing. Recorded exposure routes for the compound include touch, oral, and inhalation. Regarding plastics, results for polyurethane are inconclusive.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Trimethylsilanol H-sulfite, ammonium salt	MeSH
Trimethylsilanol, lithium salt	MeSH
Trimethylsilanol, sodium salt	MeSH
Trimethylsilanol phosphite (3:1)	MeSH
Trimethylsilanol, antimony (3+) salt	MeSH
Trimethylsilanol, potassium salt	MeSH
Trimethylsilanol	MeSH

Chemical Formula

C₃H₁₀OSi

Average Molecular Mass

90.197 g/mol

Monoisotopic Mass

90.050 g/mol

CAS Registry Number

1066-40-6

IUPAC Name

trimethylsilanol

Traditional Name

trimethylsilanol

SMILES

C[Si](C)(C)O

InChI Identifier

InChI=1S/C3H10OSi/c1-5(2,3)4/h4H,1-3H3

InChI Key

AAPLIUHOKVUFCC-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.

Kingdom

Organic compounds

Super Class

Organometallic compounds

Class

Organometalloid compounds

Sub Class

Organosilicon compounds

Direct Parent

Trialkylheterosilanes

Alternative Parents

Substituents

Trialkylheterosilane
Trialkylsilanol
Organic metalloid salt
Silanol
Organic oxygen compound
Hydrocarbon derivative
Organic salt
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

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

Property	Value	Source
Water Solubility	96.3 g/L	ALOGPS
logP	0.8	ALOGPS
logP	0.84	ChemAxon
logS	0.03	ALOGPS
pKa (Strongest Acidic)	13.67	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	19.9 m³·mol⁻¹	ChemAxon
Polarizability	9.53 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-05282fa95e44e4223cd3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-671d21ea2daa38f09df4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-27fee5efc751ec348937	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-9000000000-4a3aa7afa8d94fc4caba	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-9000000000-debba335c0610ab15eab	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00dr-9000000000-1a71dbb83d0df1a95b9d	Not Available	View Spectrum

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
2141.0	Log mg/kg	[1200:3800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
494	Food contact materials	Food, food processing & cookware	Not Available
495	Ceilings	Building & Construction	Not Available
496	Fencing	Building & Construction	Not Available
500	Stairs And Ramps	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
504	Adjustable Resistors	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
512	Contacts	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
534	Still Video Cameras	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
547	Preparation Of Malt	Food, food processing & cookware	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
602	Molluscicides	Agriculture & land management	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	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	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	7781.65
Click to view 3D structure	MAP kinase-activated protein kinase 3	Q16644	Humans	Predicted (SEA)	7777.68
Click to view 3D structure	Prostaglandin G/H synthase 2	Q05769	Mus musculus	Predicted (SEA)	7656.39
Click to view 3D structure	Hydroxycarboxylic acid receptor 2	Q8TDS4	Humans	Predicted (SEA)	7588.98
Click to view 3D structure	Gasdermin-D	P57764	Humans	Predicted (SEA)	58.3091
Click to view 3D structure	Gasdermin-D	Q9D8T2	Mus musculus	Predicted (SEA)	58.3091
Click to view 3D structure	D-amino-acid oxidase	P00371	Sus scrofa	Predicted (SEA)	5529.79
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-6	P30191	Rattus norvegicus	Predicted (SEA)	50.2127
Click to view 3D structure	Glutamate receptor 1	P42261	Humans	Predicted (SEA)	7164.39
Click to view 3D structure	Glutamate receptor 3	P42263	Humans	Predicted (SEA)	3245.38
Click to view 3D structure	Glutamate receptor 3	P19492	Rattus norvegicus	Predicted (SEA)	5333.84
Click to view 3D structure	Glutamate receptor 1	P19490	Rattus norvegicus	Predicted (SEA)	5577.43
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P12527	Rattus norvegicus	Predicted (SEA)	7628.68
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P22756	Rattus norvegicus	Predicted (SEA)	5988.78
Click to view 3D structure	Glutamate receptor 2	P19491	Rattus norvegicus	Predicted (SEA)	6007.86
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P39086	Humans	Predicted (SEA)	6245.3
Click to view 3D structure	Glutamate receptor 4	P48058	Humans	Predicted (SEA)	6011.75
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	7780.02
Click to view 3D structure	Glutamate receptor 4	P19493	Rattus norvegicus	Predicted (SEA)	5359.84
Click to view 3D structure	Glutamate receptor 2	P42262	Humans	Predicted (SEA)	7572.86
Click to view 3D structure	Proline iminopeptidase	O32449	Serratia marcescens	Predicted (SEA)	2115.71
Click to view 3D structure	Glutamate receptor ionotropic, kainate 3	P42264	Rattus norvegicus	Predicted (SEA)	5596.11
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	7770.83
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7782.74
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7781.26