Oxotitanium;pentane-2,4-dione
Basic information
- CAS
14024-64-7- Standard SMILES
CC(=O)CC(C)=O.CC(=O)CC(C)=O.[O]=[Ti]- InChIKey
JOBYUFJYCWUMQS-UHFFFAOYSA-N- Molecular formula
- C10H16O5Ti
- Average molar mass
- 264.1 g/mol
- Monoisotopic mass
- 264.0477143
Names & identifiers
- Preferred name
- Oxotitanium;pentane-2,4-dione
- IUPAC
- oxotitanium;bis(pentane-2,4-dione)
- English name
- Titanium(IV)oxide acetylacetonate
- Molecular formula
- C10H14O5Ti
- Molecular weight
- 262.08
Names & synonyms
oxotitanium;pentane-2,4-dioneTitanium,4-pentanedionato)-Titanium,4-pentanedionato-O,O')Titanium oxide bis(pentanedionate)Titanium,4-pentanedionato-O,O')-NSC78421NSC-78421tio(acac)2titanium oxide acetylacetonateTITANIUM(IV) OXIDE ACETYLACETONATETITANYL ACETOACETATETITANYL ACETYLACETONATE
Show more names
titaniumacetonylacetonateTITANYL 2,4-PENTANEDIONATEtitanylbis(acetylacetonate)TITANYL(IV) ACETYLACETONATEBis(4-hydroxypent-3-en-2-one)
Database identifiers
- CAS
14024-64-7- PubChem CID
- 416355
Properties
Computed structural properties
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 200 °C · 200 °C
- Boiling point
- 159.5 °C · 159.5°C
- Density
- 1 · 1[at 20℃]
- bulk density
- 500 kg/m3 · 500kg/m3
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- storage temp.
- 30 °C · Store below +30°C.
- form
- Powder
- color
- yellow
- Water Solubility
- 6.6 g/L · 6.6 g/L (20 ºC)
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- InChI
- InChI=1S/2C5H8O2.O.Ti/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;/q;;;+2/p-2/b2*4-3-;;
- InChIKey
- ZMTWFOKZRDNMEJ-SUKNRPLKSA-L
- SMILES
- [Ti](=O)(O/C(/C)=C\C(=O)C)O/C(/C)=C\C(=O)C
- LogP
- 1.78 at · 1.78 at 20℃
- CAS DataBase Reference
- 14024 · 14024-64-7
- EPA Substance Registry System
- Titanium, oxobis(2,4-pentanedionato-.kappa.O,.kappa.O')- (14024-64-7)
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XR2330000
- hs_code
- 29141900
- Toxicity
- LD50 ipr-rat: 650 mg/kg NCIUS* PH 43-64-886,JUL,68
- risk_code
- 20/21/22-36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 7-22-26-37/39-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H312-H315-H319-H332-H335-H351
- REACH Registrations
- Active
- Precautionary statements
- P201-P261-P280-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesCross-linking agent for cellulosic lacquers.
UsesEmployed as a cross linking agent for cellulose fibers.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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