ContaminantDB: Siloxane modified silica nanoparticles (generic)

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 02:46:22 UTC

Update Date

2016-11-09 01:13:48 UTC

Accession Number

CHEM008456

Identification

Common Name

Siloxane modified silica nanoparticles (generic)

Class

Small Molecule

Description

Contaminant Sources

HPV EPA Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Disiloxan	ChEBI
H3SI-O-sih3	ChEBI
Oxybis(silane)	ChEBI
Siloxane	ChEBI

Chemical Formula

H₆OSi₂

Average Molecular Mass

78.218 g/mol

Monoisotopic Mass

77.996 g/mol

CAS Registry Number

244407

IUPAC Name

(silyloxy)silane

Traditional Name

disiloxane

SMILES

[SiH3]O[SiH3]

InChI Identifier

InChI=1S/H6OSi2/c2-1-3/h2-3H3

InChI Key

KPUWHANPEXNPJT-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as miscellaneous mixed metal/non-metals. These are inorganic compounds containing non-metal as well as metal atoms but not belonging to afore mentioned classes.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Miscellaneous mixed metal/non-metals

Sub Class

Not Available

Direct Parent

Miscellaneous mixed metal/non-metals

Alternative Parents

Substituents

Inorganic salt
Miscellaneous mixed metal/non-metal
Inorganic metalloid salt

Molecular Framework

Not Available

External Descriptors

siloxane (CHEBI:48141 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

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
logP	-1.6	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	9.23 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	6.15 m³·mol⁻¹	ChemAxon
Polarizability	6.43 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	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	View
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0a4i-0290000000-05f3222368af98e7d78c	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0aor-0198000000-9fa2fda01214a57c38dd	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-001i-0191000000-3ffd305fb578663f151a	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0006-0009300000-f486d84e11d3314b60f7	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-001i-2395220000-555d8498cf50a2d7e95c	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00di-0091000000-96108a647d0cb614d111	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0ae9-0296600000-badc356830fc958a0833	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00di-0091000000-f597b230a98413613bc2	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00di-0091000000-96831d96889a97a00013	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00di-0091000000-7e41bce79e6add434bc4	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00di-0091000000-33bfbecafef913f2a9d2	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0ac0-0195400000-f85ef87635c209da62b1	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00di-0091000000-98e1982e2ad55524ab59	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-05ai-0193200000-48e41483c0663bb8d09d	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00di-0091000000-f41de7f12779fedf8953	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0ac0-0194200000-bdbdad16269efdb27714	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00di-0091000000-d2f27847113abe79e4af	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0ac0-0194200000-b724d5e7673de91c561e	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00di-0091000000-79c7e5b13be770e0fb8a	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0ac0-0194200000-334534fd207e3dc83ff5	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00di-0091000000-cce3a38201f217a7d425	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00di-0091000000-dab8a7dfb5a6adf17e7d	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0ac0-0094200000-68e4a9f28c604c4ee0dc	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-05gi-0194200000-592fa2ba6cae047166fc	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-05gi-0094210000-a3ac13b18cd389feab7f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-9000000000-3bfddcc50b918d410c2a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-9000000000-3bfddcc50b918d410c2a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-9000000000-60e84cec31563ebebce8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9000000000-d933191f23cedded93f2	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-d933191f23cedded93f2	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-d933191f23cedded93f2	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Disiloxane

Chemspider ID

Not Available

ChEBI ID

48141

PubChem Compound ID

123318

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Siloxane modified silica nanoparticles (generic) (CHEM008456)

Structure for CHEM008456: Siloxane modified silica nanoparticles (generic)