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13246-39-4 molecular structure
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1-(trimethylsilyl)ethan-1-ol

ChemBase ID: 137848
Molecular Formular: C5H14OSi
Molecular Mass: 118.24956
Monoisotopic Mass: 118.0813916
SMILES and InChIs

SMILES:
CC(O)[Si](C)(C)C
Canonical SMILES:
CC([Si](C)(C)C)O
InChI:
InChI=1S/C5H14OSi/c1-5(6)7(2,3)4/h5-6H,1-4H3
InChIKey:
ZLTWIJREHQCJJL-UHFFFAOYSA-N

Cite this record

CBID:137848 http://www.chembase.cn/molecule-137848.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(trimethylsilyl)ethan-1-ol
IUPAC Traditional name
1-(trimethylsilyl)ethanol
Synonyms
1-(Trimethylsilyl)ethanol
1-(三甲基硅基)乙醇
CAS Number
13246-39-4
MDL Number
MFCD00134277
PubChem SID
162232109
PubChem CID
12447898

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
364398 external link Add to cart Please log in.
Data Source Data ID
PubChem 12447898 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.07194  H Acceptors
H Donor LogD (pH = 5.5) 1.6053 
LogD (pH = 7.4) 1.6053  Log P 1.6053 
Molar Refractivity 28.3815 cm3 Polarizability 13.48985 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
27 °C expand Show data source
80.6 °F expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1987 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
16-26-36/37/39 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1987 3/PG 3 expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C5H14OSi expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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