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13688-55-6 molecular structure
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trimethylsilyl prop-2-enoate

ChemBase ID: 151902
Molecular Formular: C6H12O2Si
Molecular Mass: 144.24378
Monoisotopic Mass: 144.06065616
SMILES and InChIs

SMILES:
C[Si](C)(C)OC(=O)C=C
Canonical SMILES:
C=CC(=O)O[Si](C)(C)C
InChI:
InChI=1S/C6H12O2Si/c1-5-6(7)8-9(2,3)4/h5H,1H2,2-4H3
InChIKey:
OTYBJBJYBGWBHB-UHFFFAOYSA-N

Cite this record

CBID:151902 http://www.chembase.cn/molecule-151902.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethylsilyl prop-2-enoate
IUPAC Traditional name
trimethylsilyl prop-2-enoate
Synonyms
Acrylic acid trimethylsilanyl ester
Trimethylsilyl acrylate
丙烯酰氧基三甲基硅烷
CAS Number
13688-55-6
MDL Number
MFCD00156432
PubChem SID
24879846
162246048
PubChem CID
554662

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
560138 external link Add to cart Please log in.
Data Source Data ID
PubChem 554662 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7741  LogD (pH = 7.4) 2.7741 
Log P 2.7741  Molar Refractivity 33.7041 cm3
Polarizability 15.247587 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
53 °C/0.2 mmHg(lit.) expand Show data source
Flash Point
-15 °C expand Show data source
5 °F expand Show data source
Density
0.984 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.4090(lit.) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-36/37/38-51/53 expand Show data source
Safety Statements
26-28-61 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H315-H319-H335-H411 expand Show data source
GHS Precautionary statements
P210-P261-P273-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 1993 3/PG 2 expand Show data source
Linear Formula
CH2=CHCO2Si(CH3)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 560138 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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