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541-05-9 molecular structure
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hexamethyl-1,3,5,2,4,6-trioxatrisilinane

ChemBase ID: 149710
Molecular Formular: C6H18O3Si3
Molecular Mass: 222.46182
Monoisotopic Mass: 222.05637403
SMILES and InChIs

SMILES:
C[Si]1(O[Si](O[Si](O1)(C)C)(C)C)C
Canonical SMILES:
C[Si]1(C)O[Si](C)(C)O[Si](O1)(C)C
InChI:
InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3
InChIKey:
HTDJPCNNEPUOOQ-UHFFFAOYSA-N

Cite this record

CBID:149710 http://www.chembase.cn/molecule-149710.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexamethyl-1,3,5,2,4,6-trioxatrisilinane
IUPAC Traditional name
cyclomethicone
Synonyms
Hexamethylcyclotrisiloxane
六甲基环三硅氧烷
CAS Number
541-05-9
EC Number
208-765-4
MDL Number
MFCD00005943
Beilstein Number
1766829
PubChem SID
24853993
162243872
PubChem CID
10914

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10914 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5748  LogD (pH = 7.4) 0.5748 
Log P 0.5748  Molar Refractivity 39.7248 cm3
Polarizability 22.008795 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
50-64 °C(lit.) expand Show data source
64-66°C expand Show data source
Boiling Point
134 °C(lit.) expand Show data source
134°C expand Show data source
Flash Point
35 °C expand Show data source
35°C(95°F) expand Show data source
95 °F expand Show data source
Vapor Density
1 (vs air) expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
RTECS
GZ4705000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1325 expand Show data source
UN1325 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H228-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P210-P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1325 4.1/PG 2 expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H18O3Si3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 235687 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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