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

• ChemBase ID: 148787
• Molecular Formular: C10H16O5Zn
• Molecular Mass: 281.61104
• Monoisotopic Mass: 280.02891561
• SMILES: C/C(=C\C(=O)C)/O[Zn]O/C(=C/C(=O)C)/C.O
• Canonical SMILES: C/C(=C\C(=O)C)/O[Zn]O/C(=C/C(=O)C)/C.O
• InChI: InChI=1S/2C5H8O2.H2O.Zn/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;1H2;/q;;;+2/p-2
• InChIKey: KUJHAYOLESEVSA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({[(4-oxopent-2-en-2-yl)oxy]zincio}oxy)pent-3-en-2-one hydrate
• IUPAC Traditional name: 4-({[(4-oxopent-2-en-2-yl)oxy]zincio}oxy)pent-3-en-2-one hydrate
• Synonyms: Zn(acac)2; Bis(2,4-pentanedionato)zinc; Zinc acetylacetonate hydrate; 双(2,4-戊二酮)锌; 乙酰丙酮锌 水合物

Database IDs

• CAS Number: 108503-47-5
• EC Number: 237-860-3
• MDL Number: MFCD00149060
• Beilstein Number: 4166200
• PubChem SID: 24848048; 162242962; 24890300; 24871731
• PubChem CID: 56846320

CALCULATED PROPERTIES

• Acid pKa: 19.13614
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.0454
• LogD (pH = 7.4): -0.0454
• Log P: -0.0454
• Molar Refractivity: 54.8498 cm^3
• Polarizability: 23.628893 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder; solid
• Melting Point: 135-138 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥90% (KT); 99.995% trace metals basis
• Grade: technical
• Linear Formula: Zn(C5H7O2)2 · xH2O

DETAILS

Sigma Aldrich - 132306

Features and Benefits
Novel MOCVD precursor for the preparation of high-crystallinity (Zn,Fe)Fe2O4 films and magnetic property measurements of these films.1
Packaging
100, 500 g in poly bottle

Sigma Aldrich - 480991

Features and Benefits
Novel MOCVD precursor for the preparation of high-crystallinity (Zn,Fe)Fe2O4 films and magnetic property measurements of these films.1
Packaging
25 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 96461

Features and Benefits
Novel MOCVD precursor for the preparation of high-crystallinity (Zn,Fe)Fe2O4 films and magnetic property measurements of these films.1