Basic information
- CAS
68443-72-1- Standard SMILES
CC(C)(c1ccccc1)c1ccc(O)cc1.CC(C)CCCCCCCCCCCCCCC(=O)O.O=C(O)CO.[Ti]- InChIKey
VPKMTZGFJFMPSD-UHFFFAOYSA-N- Molecular formula
- C35H56O6Ti
- Average molar mass
- 620.7 g/mol
- Monoisotopic mass
- 620.3556302
Names & identifiers
- Preferred name
- Titanium, (2-(hydroxy-kappaO)acetato(2-)-kappaO)(isooctadecanoato-kappaO)(4-(1-methyl-1-phenylethyl)phenolato)-
- IUPAC
- 2-hydroxyacetic acid;16-methylheptadecanoic acid;4-(2-phenylpropan-2-yl)phenol;titanium
Names & synonyms
Isostearoyl p-cumylphenyl glycolyl titanateEINECS 270-546-4[hydroxyacetato(2-)-O1,O2](isooctadecanoato-O)[4-(1-methyl-1-phenylethyl)phenolato]titanium(Hydroxyacetato(2-)-O1,O2)(isooctadecanoato-O)(4-(1-methyl-1-phenylethyl)phenolato)titaniumTitanium, ((hydroxy-kappaO)acetato(2-)-kappaO)(isooctadecanoato-kappaO)(4-(1-methyl-1-phenylethyl)phenolato)-Titanium, (2-(hydroxy-kappaO)acetato(2-)-kappaO)(isooctadecanoato-kappaO)(4-(1-methyl-1-phenylethyl)phenolato)-RefChem:898351270-546-4Titanium, [2-(hydroxy-.kappa.O)acetato(2-)-.kappa.O](isooctadecanoato-.kappa.O)[4-(1-methyl-1-phenylethyl)phenolato]-68443-72-1
Database identifiers
- CAS
68443-72-1- PubChem CID
- 110288
- EC Number
- 270-546-4
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 625
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationTitanium, [2-(hydroxy-.kappa.O)acetato(2-)-.kappa.O](isooctadecanoato-.kappa.O)[4-(1-methyl-1-phenylethyl)phenolato]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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