4-({[(4-oxopent-2-en-2-yl)oxy]manganio}oxy)pent-3-en-2-one

• ChemBase ID: 104283
• Molecular Formular: C10H14MnO4
• Molecular Mass: 253.153809
• Monoisotopic Mass: 253.02725403
• SMILES: CC(=O)/C=C(\C)/O[Mn]O/C(=C/C(=O)C)/C
• Canonical SMILES: C/C(=C\C(=O)C)/O[Mn]O/C(=C/C(=O)C)/C
• InChI: InChI=1S/2C5H8O2.Mn/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2
• InChIKey: ZQZQURFYFJBOCE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({[(4-oxopent-2-en-2-yl)oxy]manganio}oxy)pent-3-en-2-one
• IUPAC Traditional name: 4-({[(4-oxopent-2-en-2-yl)oxy]manganio}oxy)pent-3-en-2-one
• Synonyms: Mn(acac)2; 2,4-Pentanedione manganese(II) derivative; Manganese(II) acetylacetonate; Manganous acetylacetonate; MANGANESE ACETYLACETONATE; 2,4-戊二酮 锰(II) 衍生物; 双(2,4-戊二酮)锰; 乙酰丙酮锰(II)

Database IDs

• CAS Number: 14024-58-9
• EC Number: 237-858-2
• MDL Number: MFCD00000022
• Beilstein Number: 4157965
• PubChem SID: 162091514; 24854756
• PubChem CID: 44630361

CALCULATED PROPERTIES

• Acid pKa: 19.13614
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.2546
• LogD (pH = 7.4): 0.2546
• Log P: 0.2546
• Molar Refractivity: 54.8498 cm^3
• Polarizability: 23.255634 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 248-250 °C (dec.)(lit.); 261°C
• Vapor Pressure: 1 mm Hg at 1292 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: OO9350000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 20/21/22-36/37/38-40; R:36/37/38-58
• Safety Statements: 26-36; S:20-25-26-29-37/39-61
• EU Classification: M7
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335-H351
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: [CH3COCH=C(O)CH3]2Mn

DETAILS

MP Biomedicals - 02155333

(Manganous acetylacetonate)

Sigma Aldrich - 245763

Packaging
100 g in poly bottle
5 g in glass bottle