1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium titanium(4+) salt (1:?:?)
Basic information
- CAS
68959-15-9- Standard SMILES
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Ti+4].[Ti+4].[Ti+4]- InChIKey
NUZYGONUYYINRR-UHFFFAOYSA-A- Molecular formula
- C30H25Na3O35Ti3
- Average molar mass
- 1,158.1 g/mol
- Monoisotopic mass
- 1,157.830767
Names & identifiers
- Preferred name
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium titanium(4+) salt (1:?:?)
- IUPAC
- trisodium;pentakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(titanium(4+))
- English name
- citric acid, sodium titanium salt
- Molecular formula
- C6H9NaO7Ti
- Molecular weight
- 263.99
Names & synonyms
Citric acid, sodium titanium salt1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium titanium(4+) salt1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium titanium(4+) salt (1:?:?)RefChem:410734DTXSID001011618273-399-4Sodium titanium citrate68959-15-9trisodium;2-hydroxypropane-1,2,3-tricarboxylate;titanium(4+)EINECS 273-399-4tris(titanium(4+))citric acid sodium titanium
Show more names
pentakis(2-hydroxypropane-1,2,3-tricarboxylate)2-Hydroxy-1,2,3-propanetricarboxylic acid sodium titanium(4+) salt2-Hydroxy-1,2,3-propanetricarboxylic acid/sodium/titanium,(1:x:x) salt
Database identifiers
- CAS
68959-15-9- PubChem CID
- 155229
Properties
Computed structural properties
- Topological polar surface area
- 703 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 35
- Rotatable bonds
- 10
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 116 ℃[at · 116℃[at 101 325 Pa]
- EPA Substance Registry System
- 1 · 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium titanium(4+) salt (68959-15-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 0.6% (1 of 181) of reports.
Warning
H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 181 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium titanium(4+) salt
REACH registered substance: Citric acid, sodium titanium salt (EC: 273-399-4)
Hazard Classes and CategoriesSkin Irrit. 2 (98.3%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium titanium(4+) salt (1:?:?): ACTIVE
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Related reactions
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Compound notes
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