Zinc,bis(2,4-pentanedionato-kO,kO')-, hydrate, (T-4)- (9CI) (108503-47-5)

The systematic name of Zinc acetylacetonate hydrate is bis[(Z)-1-methyl-3-oxo-but-1-enoxy]zinc hydrate. With the CAS registry number 108503-47-5, it is also named as Acetylacetone zinc(+2)monohydrate. It is white needle crystal or powder which is soluble in benzene, ethanol, acetone and other dry organic solvents. In addition, it can hydrolyze with water and can sublime under vacuum conditions. 

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 61.83 Å²; (5)Melting point: 135-138°C.

Preparation of Zinc acetylacetonate hydrate: 100g (1mol) acetyl acetone and 40g (1mol) NaOH are dissolved in 500mL water and adding the solution of 144g (0.5mol) zinc sulfate heptahydrate dissolving in 500ml water. Standing 1h, filtering and washing. Then we can get 122g zinc acetylacetonate monohydrate. The yield is 87%.

When you are using this chemical, please be cautious about it as the following:
The Zinc acetylacetonate hydrate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
1. SMILES: O=C(C)\C=C(\C)O[Zn]OC(\C)=C/C(C)=O.O
2. InChI: InChI=1/2C5H8O2.H2O.Zn/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;1H2;/q;;;+2/p-2/b2*4-3-;;
3. InChIKey: KUJHAYOLESEVSA-NKJQKDQFBO
4. Std. InChI: InChI=1S/2C5H8O2.H2O.Zn/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;1H2;/q;;;+2/p-2/b2*4-3-;;
5. Std. InChIKey: KUJHAYOLESEVSA-SUKNRPLKSA-L