Zirconium bis(2-ethylhexanoate) oxide
Basic information
- CAS
15104-99-1- Standard SMILES
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[O]=[Zr+2]- InChIKey
BBUGYUVNELFWJF-UHFFFAOYSA-L- Molecular formula
- C16H30O5Zr
- Average molar mass
- 393.63 g/mol
- Monoisotopic mass
- 392.114023
Names & identifiers
- Preferred name
- Zirconium bis(2-ethylhexanoate) oxide
- IUPAC
- bis(2-ethylhexanoate);oxozirconium(2+)
- English name
- zirconium bis(2-ethylhexanoate) oxide
- Molecular formula
- C16H28O6Zr
- Molecular weight
- 407.61392
Names & synonyms
Zirconium bis(2-ethylhexanoate) oxideEINECS 239-157-7RefChem:905204239-157-715104-99-12-ethylhexanoate;oxozirconium(2+)Zirconyl2-ethylhexanoateSCHEMBL594231Oxobis(2-ethylhexanoyloxy) zirconium(IV)Bis(2-ethyl-1-oxohexyloxy)oxozirconium(IV)Bis(2-ethylhexanoyloxy) zirconium(IV) oxideBis[(2-ethyl-1-oxohexyl)oxy]oxozirconium(IV)
Show more names
Bis(2-ethylhexanoic acid)oxozirconium(IV) salt(3S)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one,nitric acid
Database identifiers
- CAS
15104-99-1- PubChem CID
- 84793
- EC Number
- 239-157-7
Properties
Computed structural properties
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 95.9
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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