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3087-36-3 molecular structure
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tetraethoxytitanium

ChemBase ID: 149393
Molecular Formular: C8H20O4Ti
Molecular Mass: 228.109
Monoisotopic Mass: 228.08410542
SMILES and InChIs

SMILES:
CCO[Ti](OCC)(OCC)OCC
Canonical SMILES:
CCO[Ti](OCC)(OCC)OCC
InChI:
InChI=1S/4C2H5O.Ti/c4*1-2-3;/h4*2H2,1H3;/q4*-1;+4
InChIKey:
JMXKSZRRTHPKDL-UHFFFAOYSA-N

Cite this record

CBID:149393 http://www.chembase.cn/molecule-149393.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetraethoxytitanium
IUPAC Traditional name
tetraethoxytitanium
Synonyms
Tetraethyl orthotitanate
Tetraethyl titanate
Titanium(IV) ethoxide
原钛酸四乙酯
钛酸乙酯
乙醇钛
CAS Number
3087-36-3
MDL Number
MFCD00009071
Beilstein Number
3678992
PubChem SID
24888753
24854700
24888752
162243559
PubChem CID
2724286

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2724286 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1368  LogD (pH = 7.4) 2.1368 
Log P 2.1368  Molar Refractivity 47.182 cm3
Polarizability 21.806671 Å3 Polar Surface Area 36.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
liquid expand Show data source
Boiling Point
150-152 °C/10 mmHg(lit.) expand Show data source
Flash Point
28 °C expand Show data source
82.4 °F expand Show data source
Density
1.088 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.505 expand Show data source
n20/D 1.505(lit.) expand Show data source
n20/D 1.509 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
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
26 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 1993 3/PG 3 expand Show data source
Grade
technical expand Show data source
technical grade expand Show data source
Compostion
Ti, 20% expand Show data source
Impurities
~20% Tetraisopropyl orthotitanate expand Show data source
~20% tetraisopropyl orthotitanate (NMR) expand Show data source
≤3% tetraisopropyl orthotitanate (NMR) expand Show data source
Linear Formula
Ti(OC2H5)4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 244759 external link
Packaging
50, 250 g in glass bottle
Sigma Aldrich - 86710 external link
Caution
During storage a gelatinous residue may form, which dissolves after heating up to 40 °C
Packaging
50 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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