[(4-cyclohexylbutanoyl)oxy]manganio 4-cyclohexylbutanoate

• ChemBase ID: 137712
• Molecular Formular: C20H34MnO4
• Molecular Mass: 393.419609
• Monoisotopic Mass: 393.18375467
• SMILES: C1CCC(CC1)CCCC(=O)O[Mn]OC(=O)CCCC1CCCCC1
• Canonical SMILES: O=C(O[Mn]OC(=O)CCCC1CCCCC1)CCCC1CCCCC1
• InChI: InChI=1S/2C10H18O2.Mn/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2
• InChIKey: QZKJUBKNJKLMIB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-cyclohexylbutanoyl)oxy]manganio 4-cyclohexylbutanoate
• IUPAC Traditional name: [(4-cyclohexylbutanoyl)oxy]manganio 4-cyclohexylbutanoate
• Synonyms: Manganese(II) cyclohexanebutyrate; 环己基丁酸锰

Database IDs

• CAS Number: 35542-88-2
• EC Number: 252-610-3
• MDL Number: MFCD00036401
• PubChem SID: 24853680; 162231974
• PubChem CID: 4619216

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.1016
• LogD (pH = 7.4): 5.1016
• Log P: 5.1016
• Molar Refractivity: 93.3908 cm^3
• Polarizability: 40.606205 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 161-163 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: [C6H11(CH2)3CO2]2Mn

DETAILS

Sigma Aldrich - 228265

Application
Manganese standard salt for organic systems. Lot specific assay on label.
Packaging
5 g in poly bottle