[(2-hydroxypropanoyl)oxy]ferrio 2-hydroxypropanoate hydrate

• ChemBase ID: 152863
• Molecular Formular: C6H12FeO7
• Molecular Mass: 252.00028
• Monoisotopic Mass: 251.99324022
• SMILES: CC(C(=O)O[Fe]OC(=O)C(C)O)O.O
• Canonical SMILES: CC(C(=O)O[Fe]OC(=O)C(O)C)O.O
• InChI: InChI=1S/2C3H6O3.Fe.H2O/c2*1-2(4)3(5)6;;/h2*2,4H,1H3,(H,5,6);;1H2/q;;+2;/p-2
• InChIKey: FDSNKEJXJCZFLE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-hydroxypropanoyl)oxy]ferrio 2-hydroxypropanoate hydrate
• IUPAC Traditional name: ferrous lactate hydrate
• Synonyms: Ferrous lactate hydrate; Iron(II) lactate hydrate; 乳酸亚铁 水合物; 乳酸铁(II) 水合物

Database IDs

• CAS Number: 5905-52-2
• EC Number: 227-608-0
• Beilstein Number: 6099658
• PubChem SID: 24868489; 162247006
• PubChem CID: 71311573

CALCULATED PROPERTIES

• Acid pKa: 12.747701
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.34960002
• LogD (pH = 7.4): -0.34960195
• Log P: -0.3496
• Molar Refractivity: 35.8244 cm^3
• Polarizability: 18.063417 Å^3
• Polar Surface Area: 93.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: OD5525000
• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (dried material)
• Loss on Drying: 12-15% loss on drying
• Linear Formula: [CH3CH(OH)COO]2Fe · xH2O

DETAILS

Sigma Aldrich - 44953

Packaging
100 g in poly bottle
Application

• Reagent in preparation of carbon-based noble-metal-free PEFC cathode catalysts (oxygen reduction) for use in polymer electrolyte fuel cells (PEFCs)1
• Used for iron fortification of food products2
• Used for formulation of chemoattractant coatings for artificial reef structures3