Basic information
- Standard SMILES
CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Ti+4]- InChIKey
YHWCPXVTRSHPNY-UHFFFAOYSA-N- Molecular formula
- C16H36O4Ti
- Average molar mass
- 340.32 g/mol
- Monoisotopic mass
- 340.20930593
Overview
Tetrabutyl titanate appears as a water-white to pale-yellow liquid with an alcohol-like odor. About the same density as water. Flash point 170 °F. Contact may irritate or cause burns.
Names & identifiers
- Preferred name
- Titanium tetrabutoxide
- IUPAC
- tetrakis(butan-1-olate);titanium(4+)
- English name
- Tetrabutyl titanate
- Molecular formula
- C16H36O4Ti
- Molecular weight
- 340.32
Names & synonyms
5593-70-4Titanium tetrabutoxideButyl titanateTETRABUTYL TITANATETitanium ButoxideTetrabutyltitanateTitanium butylateTetrabutyl orthotitanateOrgatics TA 25B 1 (titanate)Butyl titanate(IV)Butyl titanate monomer
Show more names
TNBTTETRA-N-BUTYL TITANATEtetrabutoxytitaniumTITANIUM(IV) BUTOXIDETITANIUM(IV) N-BUTOXIDETitanium tetrabutanolate
Tyzor BPButyl orthotitanateTyzor TBTTetrabutoxy titaniumTitanium tetrabutylateTitanium, tetrabutoxy-Titanium(4+) butoxideTitanium tetrakis(butoxide)
Database identifiers
- CAS
5593-70-4、9022-96-2- PubChem CID
- 21801
- DTXSID
DTXSID6041262- UNII
- FJS8Q2MX9I
- EC Number
- 227-006-8
Properties
Computed structural properties
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 13.1
Experimental & physicochemical properties
Chemical ClassesMetals -> Metal Alkoxides
OdorWEAK, ALCOHOL-LIKE ODOR
Density
0.998 at 77 °F (USCG, 1999) - Less dense than water; will float
0.998 @ 25 °C (liquid)
0.998 @25 °C
Color/Form
COLORLESS TO LIGHT-YELLOW LIQUID
Pale yellow, viscous liquid
Solubility
Sol in most organic solvents except ketones
Sol in aliphatic aromatic, chlorinated, and oxygenated solvents
Flash Point
170 °F (USCG, 1999)
170 °F (CLOSED CUP)
Boiling Point
593 °F at 760 mmHg (USCG, 1999)
312 °C
292.4 °C @760 [mm Hg]
DecompositionWhen heated to decomposition it emits acrid & irritating fumes.
Melting Point
-67 °F (USCG, 1999)
-55 °C
-55 °C
Vapor Density11.7 (Air= 1)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Refractive IndexIndex of refraction: 1.486
Physicochemical properties
- Melting point
- -55 °C · -55°C
- Boiling point
- 206 °C/10 · 206 °C/10 mmHg (lit.)
- Density
- 1 g/mL · 1.00 g/mL at 20 °C (lit.)
- vapor pressure
- 5.6 hPa · 5.6 hPa (20 °C)
- refractive index
- 20 · n20/D 1.491(lit.)
- Flash point
- 55 °F · 55 °F
- storage temp.
- 2 °C · Store at +2°C to +8°C.
- solubility
- Miscible with aliphatic, aromatic, chlorinated and oxygenated solvents.
- form
- Liquid
- Specific Gravity
- 0.998 · 0.998
- color
- Pale yellow
- explosive limit
- 2 · 2.0-12.0%(V)
- Water Solubility
- RAPIDLY HYDROLIZED
- Sensitive
- Moisture Sensitive
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- BRN
- 4148236 · 4148236
- Stability
- Stable, but moisture sensitive. Flammable. Incompatible with water, moisture, strong oxidizing agents, strong acids.
- Cosmetics Ingredients Functions
- FILM FORMING
- InChI
- 1S/4C4H9O.Ti/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4
- InChIKey
- YHWCPXVTRSHPNY-UHFFFAOYSA-N
- SMILES
- CCCCO[Ti](OCCCC)(OCCCC)OCCCC
- LogP
- 0.84 at · 0.84 at 25℃
- Indirect Additives used in Food Contact Substances
- TETRABUTYL TITANATE
- FDA 21 CFR
- 175.3 · 175.300; 177.1590
- CAS DataBase Reference
- 5593 · 5593-70-4(CAS DataBase Reference)
- FDA UNII
- 8 Q2MX9I · FJS8Q2MX9I
- NIST Chemistry Reference
- Tetrabutoxytitanium(5593-70-4)
- EPA Substance Registry System
- Tetrabutyl titanate (5593-70-4)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H315-H318-H335-H336
- Precautionary statements
- 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- target organs
- Central nervous system, Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,T
- Risk Statements
- 10 · 10-36/37/38-67-41-37/38-45
- Safety Statements
- 16 · 16-26-39-24/25-53
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 1 · 1
- RTECS
- 1585000 · XR1585000
- F
- 21 · 21
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29051900 · 29051900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 Flam · Eye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Hazardous Substances Data
- 5593 · 5593-70-4(Hazardous Substances Data)
- Toxicity
- 50 orally · LD50 orally in Rabbit: 3122 mg/kg
- 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)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 6.5% (102 of 1561) of reports.
Danger
H226 (84.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1561 reports by companies from 46 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: 1-Butanol, titanium(4+) salt
1-Butanol, titanium(4+) salt (4:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, titanium(4+) salt (4:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 27-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14260
1-Butanol, titanium (IV) salt: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive Flammable Liquid
Fire HazardsCombustible. Containers may explode in fire. May give off dense white smoke. Containers may explode. (USCG, 1999)
Fire PotentialFLAMMABLE WHEN EXPOSED TO HEAT OR FLAME.
Health HazardsLIQUID: Irritating to skin and eyes. If swallowed will cause nausea and vomiting. (USCG, 1999)
Hazards Summary
Decomposed by water producing butanol and titanium dioxide; A skin, eye, and respiratory tract irritant; May cause corneal damage; [HSDB] Reacts with water forming butanol and titanium dioxide; A skin and eye irritant; [CAMEO] A skin irritant; Corrosive to eyes; [eChemPortal: ERMA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Reactive GroupBases, Strong
Reactivity Profile
Organometallics are strongly reactive with many other groups. Incompatible with acids and bases. Organometallics are good reducing agents and therefore incompatible with oxidizing agents. Often reactive with water to generate toxic or flammable gases. Generally highly toxic. Often react on contact with tissues to give toxic products.
Flammable Limits2%-12%
Air and Water ReactionsSoluble in water. Reacts with water to form butanol and titanium dioxide, the reaction is not generally thought to be hazardous.
Hazard Classes and Categories
Flam. Liq. 3 (84.2%)
Flammable liquids - Category 4
Lower Explosive Limit (LEL)2 % (USCG, 1999)
Safety & protection
Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
First AidINHALATION: move from contaminated atmosphere; if symptoms of respiratory discomfort persist, see a physician.
Firefighting HazardsMAY GIVE OFF DENSE WHITE SMOKE.
Fire Fighting ProceduresEXTINGUISH WITH DRY CHEM OR CARBON DIOXIDE. DO NOT USE WATER ON FIRE. COOL EXPOSED CONTAINERS WITH WATER.
Storage Conditions
IN GENERAL, MATERIALS ... TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS ... SHOULD BE STORED IN COOL ... VENTILATED PLACE, OUT OF ... SUN, AWAY FROM ... FIRE HAZARD ... BE PERIODICALLY INSPECTED & MONITORED. INCOMPATIBLE MATERIALS SHOULD BE ISOLATED ... .
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Isolation and EvacuationExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Protective Action Criteria (PAC)
9.4 [mg/m3]
100 [mg/m3]
620 [mg/m3]
Personal Protective Equipment (PPE)
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
SELF-CONTAINED BREATHING APPARATUS OR ORGANIC CANISTER MASK; GOGGLES OR FACE SHIELD; RUBBER GLOVES.
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity Excerpts
INHALATION CAUSES NONSPECIFIC IRRITATION OF THE UPPER RESP TRACT. CONTACT WITH LIQUID MAY CAUSE CORNEAL DAMAGE IN EYES AND LOCAL IRRITATION OF SKIN. INGESTION CAUSES NONSPECIFIC IRRITATION OF GI TRACT, NAUSEA, VOMITING, CRAMPS, AND DIARRHEA; IN SEVERE CASES, CENTRAL NERVOUS SYSTEM DEPRESSION MAY RESULT.
Non-Human Toxicity Values
LD50 Rat oral 3122 mg/kg
LD50 Mouse iv 180 mg/kg
Safety data
- F
- 21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- XR1585000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29051900
- Toxicity
- LD50 orally in Rabbit: 3122 mg/kg
- risk_code
- 10-36/37/38-67-41-37/38-45
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- Xi,T
- safety_code
- 16-26-39-24/25-53
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Central nervous system, Respiratory system
- Hazard statements
- H226-H315-H318-H335-H336
- 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 Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- Hazardous Substances Data
- 5593-70-4(Hazardous Substances Data)
Chemistry & industry
Pharmacology
BionecessityThere is no evidence that titanium is an essential element for either man or animals. /Titanium/
Uses & manufacturing
Uses
Used in ester exchange reactions, heat-resistant paints, medical/dental bonding compositions, and anhydrous hair set compositions; Also used as an adhesion promoter (paints, rubber, and plastics-metal), curing agent (alkyl, epoxy, and silicon resins), catalyst, and glass coating; [HSDB]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
Ester exchange reactions; heat-resistant paints (up to 500 °C); improving adhesion of paints, rubber, and plastics to metal surfaces; cross linking agent; condensation catalyst
Esterification/alcoholysis catalysts; alkyl/epoxy/silicon resin crosslinking agent; Ziegler catalyst component; high temperature coatings ingredient; glass surface treatment agent
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesCatalyst
Industry UsesCatalyst
Methods of ManufacturingReaction of titanium tetrachloride with butanol.
Formulations/PreparationsGrades of Purity: Technical
Household ProductsInformation on 6 consumer products that contain Titanium tetrabutanolate in the following categories is provided:
General Manufacturing Information
Petrochemical Manufacturing
1-Butanol, titanium(4+) salt (4:1): ACTIVE
IN DENTAL OR MEDICAL BONDING COMPOSITIONS
IN ANHYDROUS HAIR SET COMPOSITION
Applications
UsesEster exchange reactions; heat-resistant paints (up to 500C); improving adhesion of paints, rubber, and plastics to metal surfaces; cross-linking agent; condensation catalyst.
UsesTitanium(IV) butoxide is a sourcing material for the preparation of titanium oxide (TiO2) which can further be used in a variety of applications such as dye sensitized solar cells (DSSCs), photo-catalytic and self-cleaning based coatings.
UsesTetrabutyl titanate is used in the preparation of nanosized titania powders in the anatase form and ferroelectric bismuth titanate thin films. It is also used as intermediates, paint additives, coating additives, processing aids and as process regulators. It is involved in the preparation of nanocrystalline titanium dioxide powders at room temperature.
General DescriptionA water-white to pale-yellow liquid with an alcohol-like odor. About the same density as water. Flash point 170°F. Contact may irritate or cause burns.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
山东宇硕化工有限公司18866159232 18866159232 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Connect Chemicals GmbH+49 2102 2077 19 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
南京腾川科技有限公司18014470519; 18014470519
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
湖北瑞今化学有限公司027 83642615 13995607107 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
上海德榜化工有限公司021-61531158 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
Related reactions
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