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1070-10-6 molecular structure
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titanium(4+) ion tetrakis(2-ethylhexan-1-olate)

ChemBase ID: 110409
Molecular Formular: C32H68O4Ti
Molecular Mass: 564.74692
Monoisotopic Mass: 564.45970696
SMILES and InChIs

SMILES:
[Ti+4].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-]
Canonical SMILES:
CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].[Ti+4]
InChI:
InChI=1S/4C8H17O.Ti/c4*1-3-5-6-8(4-2)7-9;/h4*8H,3-7H2,1-2H3;/q4*-1;+4
InChIKey:
KTXWGMUMDPYXNN-UHFFFAOYSA-N

Cite this record

CBID:110409 http://www.chembase.cn/molecule-110409.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
titanium(4+) ion tetrakis(2-ethylhexan-1-olate)
IUPAC Traditional name
titanium(4+) ion tetrakis(2-ethylhexan-1-olate)
Synonyms
Titanium tetrakis(2-ethylhexanolate)
Tetrakis(2-ethylhexyl)orthotitanate(IV)
Titanium(IV) 2-ethylhexyloxide, VERTEC® EHT
2-ETHYLHEXYL TITANATE
异辛醇钛(IV), VERTEC® EHT
CAS Number
1070-10-6
EC Number
213-969-1
MDL Number
MFCD00015264
Beilstein Number
3692023
PubChem SID
162096014
PubChem CID
101956

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 101956 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.698263  H Acceptors
H Donor LogD (pH = 5.5) 2.5040007 
LogD (pH = 7.4) 2.5040007  Log P 2.5040007 
Molar Refractivity 50.9598 cm3 Polarizability 15.798378 Å3
Polar Surface Area 23.06 Å2 Rotatable Bonds 20 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Melting Point
<-25°C expand Show data source
Boiling Point
194°C/0.25mm expand Show data source
Flash Point
71°C(160°F) expand Show data source
Density
0.926 expand Show data source
Refractive Index
1.4820 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38-43 expand Show data source
Safety Statements
24-26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H317-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05214898 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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