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18536-91-9 molecular structure
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dodecyltrimethoxysilane

ChemBase ID: 180115
Molecular Formular: C15H34O3Si
Molecular Mass: 290.51416
Monoisotopic Mass: 290.22772148
SMILES and InChIs

SMILES:
[Si](OC)(OC)(OC)CCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCC[Si](OC)(OC)OC
InChI:
InChI=1S/C15H34O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-2,17-3)18-4/h5-15H2,1-4H3
InChIKey:
SCPWMSBAGXEGPW-UHFFFAOYSA-N

Cite this record

CBID:180115 http://www.chembase.cn/molecule-180115.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dodecyltrimethoxysilane
IUPAC Traditional name
dodecyltrimethoxysilane
Synonyms
1-(Trimethoxysilyl)dodecane
n-Dodecyltrimethoxysilane
n-Dodecyltrimethoxysilane
Dodecyltrimethoxysilane
正十二烷基三甲氧基硅烷
CAS Number
18536-91-9
3069-21-4
EC Number
221-332-4
MDL Number
MFCD00069148
Beilstein Number
2356323
PubChem SID
164236025
PubChem CID
76479

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 76479 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.9792  LogD (pH = 7.4) 4.9792 
Log P 4.9792  Molar Refractivity 77.2714 cm3
Polarizability 33.363922 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds 14  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-40°C expand Show data source
Boiling Point
125°C/1.8mm expand Show data source
Flash Point
108°C(226°F) expand Show data source
Density
0.890 expand Show data source
Refractive Index
1.4274 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280H-P305+P351+P338 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Useful for preparation of column supports suitable for reverse-phase chromatography: J. Chromat., 141, 289 (1977); Am. Lab., 11, 45 (1979).
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PATENTS

PATENTS

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INTERNET

INTERNET

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