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CID 25200210

HCID 25200210
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
3087-36-3
Standard SMILES
CCO.[Ti]
InChIKey
WLPSNBGDESCKIL-UHFFFAOYSA-N
Molecular formula
C2H6OTi
Average molar mass
93.94 g/mol
Monoisotopic mass
93.9898055

Names & identifiers

Preferred name
CID 25200210
IUPAC
ethanol;titanium
English name
Titanium ethoxide
Molecular formula
C8H20O4Ti
Molecular weight
228.11

Names & synonyms

SCHEMBL1264867SCHEMBL27803474WLPSNBGDESCKIL-UHFFFAOYSA-N280745-34-8Ti(OEt)4TITANIUM(IV) ETHOXIDETETRAETHYL TITANATETITANIUM TETRAETHOXIDETetraethoxy titaniumETHYL ORTHOTITANATETETRAETHYL ORTHOTITANATETitanium(IV) ethanolate
Show more names
TitaniuM tetraethanolateVERTEC(TM) ET

Database identifiers

CAS
3087-36-3
PubChem CID
25200210

Properties

Computed structural properties

Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
4
Formal charge
0
Complexity
2.8

Physicochemical properties

Melting point
54 °C · 54 °C (129 °F; 327 K)[original research?]
Boiling point
150 · 150–152 °C (302–306 °F; 423–425 K) (@10 mmHg)
Density
1.088 · 1.088
vapor pressure
57.26 hPa · 57.26hPa at 19.6℃
refractive index
1.5 · 1.50
Flash point
33 °C · 33 °C
storage temp.
2 · 2-8°C
solubility
Soluble in organic solvents.
form
liquid
Specific Gravity
1.107 · 1.107 (20℃)
color
colorless
Water Solubility
reacts
Sensitive
Moisture Sensitive
BRN
3678992 · 3678992
Stability
Stability Incompatible with strong oxidizing agents, strong acids. May decompose upon exposure to air or moisture.
Cosmetics Ingredients Functions
BINDING

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

F
3-10-21
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
29051900
risk_code
10-36/37/38-67
Signal word
Warning
Symbol(GHS)
GHS02,GHS07
hazard_code
Xi
safety_code
26-37/39-16
hazard_class
4.1
Storage Class
3 - Flammable liquids
packing_group
III
Hazard statements
H315-H319-H226
Limited Quantities
5.0 L (1.3 gallons) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations
Active
Hazard Classifications
Eye Irrit. 2Flam. Liq. 3
Precautionary statements
P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235

Chemistry & industry

Applications · 3 items

UsesTitanium(IV) ethoxide is used in organic synthesis and material science. It is involved in the synthesis of anti-perspirants and antifungal agents. Furthermore, it is used to prepare carbon films in association with silicon dioxide. It is also used as a precursor for the synthesis of Ti4+ ions titanium nanoparticles by various methods.

UsesTitanium ethoxide is used widely as a precursor for the synthesis of Ti4+ ions titania nanoparticles by various techniques such as :in the sol-gel synthesis of free-standing ferroelectric lead zirconate titanate nanoparticlesspherical titania cores, produced either by hydrolysis of Ti(IV) ethoxide droplets in contact with water vapor or by preadsorption of the titanium alkoxides into/onto the clay mineral platelets and their subsequent hydrolysis and calcination.

UsesTitanium(IV) ethoxide can be used:As an activator and dehydrating agent for by condensation of (S)-(+)-p-toluenesulfinamide with aldehydes and ketones to form sulfinimines.As a Ti4+ ion source to form complexes of titanium (IV) acrylate with methacrylic acid.As a catalyst to synthesize esters of sterically hindered alcohols via transesterification reactions.

Upstream & downstream products

Upstream raw materials

(S)-tert-Butyl 6-amino-2-((tert-butoxycarbonyl)amino)hexanoate hydrochlorideGlass-lined reaction pot

Downstream products

Titanium(IV) methoxideBenzaldehyde diethyl acetalTetra-tert-butyl orthotitanate

Suppliers100 total

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
InChI
1S/4C2H5O.Ti/c4*1-2-3;/h4*2H2,1H3;/q4*-1;+4
InChIKey
JMXKSZRRTHPKDL-UHFFFAOYSA-N
SMILES
CCO[Ti](OCC)(OCC)OCC
LogP
-0.3 at · -0.3 at 25℃
CAS DataBase Reference
3087 · 3087-36-3(CAS DataBase Reference)
FDA UNII
98 L0R4158B · 98L0R4158B
NIST Chemistry Reference
4 · Ti(OEt)4(3087-36-3)
EPA Substance Registry System
Ethanol, titanium(4+) salt (3087-36-3)
UNSPSC Code
12352103 · 12352103
NACRES
23 · NA.23
Symbol(GHS)
2 · GHS02,GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H226
Precautionary statements
501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
Xi
Risk Statements
10 · 10-36/37/38-67
Safety Statements
26 · 26-37/39-16
RIDADR
1993 · UN 1993 3/PG 3
WGK Germany
3 · 3
F
3 · 3-10-21
TSCA
TSCA listed
HazardClass
4.1 · 4.1
PackingGroup
III
HS Code
29051900 · 29051900
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
2 Flam · Eye Irrit. 2Flam. Liq. 3
REACH Registrations
Active
Limited Quantities
5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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