Basic information
- CAS
23519-77-9- Standard SMILES
CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Zr+4]- InChIKey
XPGAWFIWCWKDDL-UHFFFAOYSA-N- Molecular formula
- C12H28O4Zr
- Average molar mass
- 327.57 g/mol
- Monoisotopic mass
- 326.10346378
Overview
Tetra-n-propyl zirconate appears as a yellow-colored liquid with an alcohol-like odor. Has about the same density as water and is insoluble in water. Vapors are heavier than air. May be irritating to skin, eyes, and mucous membranes.
Names & identifiers
- Preferred name
- Zirconium(IV) propoxide
- IUPAC
- tetrakis(propan-1-olate);zirconium(4+)
- English name
- Zirconium n-propoxide
- Molecular formula
- C12H28O4Zr
- Molecular weight
- 327.57
Names & synonyms
Zirconium(IV) PropoxideZirconium tetrapropanolate1-Propanol, zirconium(4+) saltPropyl alcohol, zirconium(4+) saltA7Z4N4E80XTetra-n-propyl zirconateDTXSID6046975RefChem:905273DTXCID4026975245-711-923519-77-9Zirconium(IV) Tetrapropoxide
Show more names
N-PROPYL ZIRCONATEZirconiuM propoxide solutionZirconium(IV) propoxide solution70%w/winn-propanolwt. % in 1-propanolZirconium n-propanol
propan-1-olate;zirconium(4+)zirconium propoxidezirconium(iv) n-propoxideUNII-A7Z4N4E80XEINECS 245-711-9MFCD000153071-Propanol, zirconium(4+) salt (4:1)TETRAPROPOXYZIRCONIUM
Database identifiers
- CAS
23519-77-9- PubChem CID
- 90139
- DTXSID
DTXSID6046975- UNII
- A7Z4N4E80X
- EC Number
- 245-711-9
Properties
Computed structural properties
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 7.2
Experimental & physicochemical properties
Physical Description
Tetra-n-propyl zirconate appears as a yellow-colored liquid with an alcohol-like odor. Has about the same density as water and is insoluble in water. Vapors are heavier than air. May be irritating to skin, eyes, and mucous membranes.
CBI
Physicochemical properties
- Melting point
- -55 °C · -55.00°C
- Boiling point
- 208 °C0.1 · 208 °C0.1 mm Hg
- Density
- 1.058 g/mL · 1.058 g/mL at 20 °C
- vapor pressure
- 19.4 hPa · 19.4hPa at 20℃
- refractive index
- 20 · n20/D 1.454
- Flash point
- 83 °F · 83 °F
- form
- Slightly Viscous Solution
- Specific Gravity
- 1.05 · 1.05
- color
- Colorless to yellow to light amber
- Water Solubility
- Not miscible in water.
- Sensitive
- Moisture Sensitive
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- BRN
- 3679533 · 3679533
- Exposure limits
- 5 mg/m3; · ACGIH: TWA 5 mg/m3; STEL 10 mg/m3NIOSH: IDLH 25 mg/m3; TWA 5 mg/m3; STEL 10 mg/m3
- InChI
- 1S/4C3H7O.Zr/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;+4
- InChIKey
- XPGAWFIWCWKDDL-UHFFFAOYSA-N
- SMILES
- CCCO[Zr](OCCC)(OCCC)OCCC
- LogP
- 0.34 at · 0.34 at 20℃
- CAS DataBase Reference
- 23519 · 23519-77-9(CAS DataBase Reference)
- FDA UNII
- 7 Z4N4E80X · A7Z4N4E80X
- EPA Substance Registry System
- 1 · 1-Propanol, zirconium(4+) salt (23519-77-9)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H318-H336
- Precautionary statements
- 210 · P210-P233-P240-P241-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-41-67
- Safety Statements
- 26 · 26-39
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 1 · 1
- F
- 10 · 10-21
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29310099 · 29310099
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 Flam · Eye Dam. 1Flam. Liq. 3STOT SE 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)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (67.3%): 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 260 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Propanol, zirconium(4+) salt
1-Propanol, zirconium(4+) salt (4:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, zirconium(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: 01-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24902
1-Propanol, zirconium(4+) salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Reactive GroupBases, Strong
Reactivity AlertsHighly Flammable
Reactivity ProfileTETRA-N-PROPYL ZIRCONATE is an metal alkoxide, which is a strong base.
Air and Water ReactionsFlammable. Insoluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (67.3%)
Safety & protection
Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Protective Action Criteria (PAC)
36 [mg/m3]
300 [mg/m3]
1800 [mg/m3]
Personal Protective Equipment (PPE)Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Immediately Dangerous to Life or Health (IDLH)25 mg Zr/m3 (NIOSH, 2024)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29310099
- risk_code
- 10-41-67
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H226-H318-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. 3STOT SE 3
- Precautionary statements
- P210-P233-P240-P241-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Consumer UsesCatalyst
Industry UsesCatalyst
General Manufacturing Information
Petrochemical Manufacturing
1-Propanol, zirconium(4+) salt (4:1): ACTIVE
Applications
UsesZirconium(IV) n-propoxide is used as a precursor in the production of zirconia. It is also used to study the thermophysical properties like thermal conductivity and thermal effusivity of hybrid films and thereby adjusting optic properties of the films.
General DescriptionA yellow-colored liquid with an alcohol-like odor. Has about the same density as water and is insoluble in water. Flash point below 141°F. Vapors are heavier than air. May be irritating to skin, eyes, and mucous membranes.
Suppliers101 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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安泰精细化工技术有限公司18503026267 · [email protected]
Related reactions
3 records
Compound notes
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