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Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl-

PubChem CID
77507
Structure
Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl-_small.png
Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl-_3D_Structure.png
Molecular Formula
Synonyms
  • 3901-77-7
  • 1,3,5-Trivinyl-1,3,5-trimethylcyclotrisiloxane
  • 2,4,6-Trimethyl-2,4,6-trivinyl-1,3,5,2,4,6-trioxatrisilinane
  • Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl-
  • 134733-45-2
Molecular Weight
258.49 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2005-03-26
  • Modify:
    2025-01-18
See also: Cyclosiloxanes, Me vinyl (annotation moved to).

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl-.png

1.2 3D Conformer

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4,6-tris(ethenyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/C9H18O3Si3/c1-7-13(4)10-14(5,8-2)12-15(6,9-3)11-13/h7-9H,1-3H2,4-6H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

BVTLTBONLZSBJC-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.4 SMILES

C[Si]1(O[Si](O[Si](O1)(C)C=C)(C)C=C)C=C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C9H18O3Si3
Computed by PubChem 2.2 (PubChem release 2021.10.14)

2.3 Other Identifiers

2.3.1 CAS

3901-77-7
68082-23-5

2.3.3 Deprecated CAS

103202-55-7, 1569492-99-4
103202-55-7

2.3.4 European Community (EC) Number

2.3.5 DSSTox Substance ID

2.3.6 Nikkaji Number

2.3.7 NSC Number

2.3.8 Wikidata

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
258.49 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
258.05637404 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
258.05637404 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
27.7 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
243
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

3.2 Experimental Properties

3.2.1 Physical Description

Liquid
Colorless liquid; [Alfa Aesar MSDS]

3.2.2 Kovats Retention Index

Semi-standard non-polar
1085.2

3.3 SpringerMaterials Properties

3.4 Chemical Classes

Metals -> Metalloid Compounds (Silicon)

4 Spectral Information

4.1 1D NMR Spectra

4.1.1 1H NMR Spectra

Instrument Name
Varian CFT-20
Copyright
Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
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4.1.2 13C NMR Spectra

Source of Sample
Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
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4.2 Mass Spectrometry

4.2.1 GC-MS

1 of 3
View All
NIST Number
72926
Library
Main library
Total Peaks
154
m/z Top Peak
243
m/z 2nd Highest
215
m/z 3rd Highest
203
Thumbnail
Thumbnail
2 of 3
View All
NIST Number
415931
Library
Replicate library
Total Peaks
151
m/z Top Peak
243
m/z 2nd Highest
215
m/z 3rd Highest
231
Thumbnail
Thumbnail

4.3 IR Spectra

4.3.1 FTIR Spectra

Technique
CAPILLARY CELL: NEAT
Source of Sample
Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number
S56531
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

6 Chemical Vendors

7 Use and Manufacturing

7.1 Uses

7.1.1 Industry Uses

Intermediate

7.2 U.S. Production

Aggregated Product Volume

2019: <1,000,000 lb

2018: <1,000,000 lb

2017: <1,000,000 lb

2016: <1,000,000 lb

7.3 General Manufacturing Information

Industry Processing Sectors
All Other Basic Inorganic Chemical Manufacturing
EPA TSCA Commercial Activity Status
Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl-: ACTIVE

8 Safety and Hazards

8.1 Hazards Identification

8.1.1 GHS Classification

Note
Pictograms displayed are for 81.5% (22 of 27) of reports that indicate hazard statements. This chemical does not meet GHS hazard criteria for 18.5% (5 of 27) of reports.
GHS Hazard Statements
H413 (81.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes

P273, and P501

(The corresponding statement to each P-code can be found at the GHS Classification page.)

ECHA C&L Notifications Summary

Aggregated GHS information provided per 27 reports by companies from 2 notifications to the ECHA C&L Inventory.

Reported as not meeting GHS hazard criteria per 5 of 27 reports by companies. For more detailed information, please visit ECHA C&L website.

There is 1 notification provided by 22 of 27 reports by companies with hazard statement code(s).

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

8.1.2 Hazard Classes and Categories

Aquatic Chronic 4 (81.5%)

8.1.3 Hazards Summary

8.2 Regulatory Information

The Australian Inventory of Industrial Chemicals
Chemical: Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl-

9 Literature

9.1 Consolidated References

9.2 Springer Nature References

9.3 Chemical Co-Occurrences in Literature

9.4 Chemical-Gene Co-Occurrences in Literature

9.5 Chemical-Disease Co-Occurrences in Literature

10 Patents

10.1 Depositor-Supplied Patent Identifiers

10.2 WIPO PATENTSCOPE

10.3 Chemical Co-Occurrences in Patents

10.4 Chemical-Disease Co-Occurrences in Patents

10.5 Chemical-Gene Co-Occurrences in Patents

11 Biological Test Results

11.1 BioAssay Results

12 Classification

12.1 ChemIDplus

12.2 UN GHS Classification

12.3 NORMAN Suspect List Exchange Classification

12.4 EPA DSSTox Classification

12.5 EPA TSCA and CDR Classification

12.6 EPA Substance Registry Services Tree

12.7 MolGenie Organic Chemistry Ontology

13 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
    Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl-
    https://services.industrialchemicals.gov.au/search-inventory/
  2. CAS Common Chemistry
    LICENSE
    The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.
    https://creativecommons.org/licenses/by-nc/4.0/
    2,4,6-Trimethyl-2,4,6-trivinylcyclotrisiloxane
    https://commonchemistry.cas.org/detail?cas_rn=3901-77-7
    Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl-, homopolymer
    https://commonchemistry.cas.org/detail?cas_rn=25587-81-9
  3. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  4. DTP/NCI
    LICENSE
    Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.
    https://www.cancer.gov/policies/copyright-reuse
  5. EPA Chemical Data Reporting (CDR)
    LICENSE
    The U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce these documents, or allow others to do so, for U.S. Government purposes. These documents may be freely distributed and used for non-commercial, scientific and educational purposes.
    https://www.epa.gov/web-policies-and-procedures/epa-disclaimers#copyright
    Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl-
    https://www.epa.gov/chemical-data-reporting
  6. EPA Chemicals under the TSCA
    Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl-
    https://www.epa.gov/chemicals-under-tsca
    EPA TSCA Classification
    https://www.epa.gov/tsca-inventory
  7. EPA DSSTox
    Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl-
    https://comptox.epa.gov/dashboard/DTXSID1063229
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  8. European Chemicals Agency (ECHA)
    LICENSE
    Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
    https://echa.europa.eu/web/guest/legal-notice
    2,4,6-trimethyl-2,4,6-trivinylcyclotrisiloxane (EC: 223-458-5)
    https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/61266
  9. Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
    LICENSE
    Copyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.
    https://haz-map.com/About
    1,3,5-Trivinyl-1,3,5-trimethylcyclotrisiloxane
    https://haz-map.com/Agents/19230
  10. Japan Chemical Substance Dictionary (Nikkaji)
  11. NIST Mass Spectrometry Data Center
    LICENSE
    Data covered by the Standard Reference Data Act of 1968 as amended.
    https://www.nist.gov/srd/public-law
    Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl-
    http://www.nist.gov/srd/nist1a.cfm
  12. SpectraBase
    2,4,6-Trimethyl-2,4,6-trivinyl-1,3,5,2,4,6-trioxatrisilinane
    https://spectrabase.com/spectrum/IdYYKj8Woap
    2,4,6-TRIMETHYL-2,4,6-TRIVINYLCYCLOTRISILOXANE
    https://spectrabase.com/spectrum/FrOerYKEJCq
    2,4,6-trimethyl-2,4,5-trivinylcyclotrisiloxane
    https://spectrabase.com/spectrum/24Macg6ECdq
    2,4,6-TRIMETHYL-2,4,6-TRIVINYLCYCLOTRISILOXANE
    https://spectrabase.com/spectrum/ICnN9icgg1x
  13. Springer Nature
  14. SpringerMaterials
  15. Wikidata
    2,4,6-Trimethyl-2,4,6-trivinylcyclotrisiloxane
    https://www.wikidata.org/wiki/Q72514639
  16. PubChem
  17. GHS Classification (UNECE)
  18. NORMAN Suspect List Exchange
    LICENSE
    Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0
    https://creativecommons.org/licenses/by/4.0/
    NORMAN Suspect List Exchange Classification
    https://www.norman-network.com/nds/SLE/
  19. EPA Substance Registry Services
  20. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  21. PATENTSCOPE (WIPO)
CONTENTS