Hexanoic acid, 2-ethyl-, gadolinium(3+) salt (3:1)
Basic information
- CAS
19189-19-6- Standard SMILES
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Gd+3]- InChIKey
DOULXZJCOXBGLP-UHFFFAOYSA-K- Molecular formula
- C24H45GdO6
- Average molar mass
- 586.9 g/mol
- Monoisotopic mass
- 587.24573
Names & identifiers
- Preferred name
- Hexanoic acid, 2-ethyl-, gadolinium(3+) salt (3:1)
- IUPAC
- tris(2-ethylhexanoate);gadolinium(3+)
- English name
- Gadolinium 2-ethylhexanoate
- Molecular formula
- C24H45GdO6
- Molecular weight
- 586.86
Names & synonyms
19189-19-6Hexanoic acid, 2-ethyl-, gadolinium(3+) saltHexanoic acid, 2-ethyl-, gadolinium(3+) salt (3:1)DTXSID60890782RefChem:146194DTXCID9010311482-ethylhexanoate;gadolinium(3+)gadolinium tris(2-ethylhexanoate)C24H45GdO6SCHEMBL2349257DOULXZJCOXBGLP-UHFFFAOYSA-KGadolinium(III) 2-ethylhexanoate (~25% in toluene)
Show more names
25%intolueneGadolinium 2-ethylhexanoategadolinium(Ⅲ) 2-ethylhexanoateGADOLINIUM(III) 2-ETHYLHEXANOATE2-ethyl-hexanoicacigadoliniumsaltGadoliniumethylhexanoateintoluene2-ethyl-hexanoicacigadolinium(3++)saltTris(2-ethylhexanoic acid)gadolinium saltGadolinium 2-ethylhexanoate (25% in toluene)
Database identifiers
- CAS
19189-19-6- PubChem CID
- 86832
- DTXSID
DTXSID60890782- Nikkaji
- J422.035H
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 93.9
Physicochemical properties
- Melting point
- 148.7 °C · 148.7 °C
- Flash point
- 4 °C · 4°C (Toluene)
- form
- liquid
- EPA Substance Registry System
- 2 · Hexanoic acid, 2-ethyl-, gadolinium(3+) salt (19189-19-6)
- Risk Statements
- 11 · 11
- Safety Statements
- 9 · 9-16-33
- RIDADR
- 1993 · 1993
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- ridadr
- 1993
- risk_code
- 11
- safety_code
- 9-16-33
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, 2-ethyl-, gadolinium(3+) salt (3:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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