Cyclohexanecarboxylicacid, 3,5-dioxo-4-(1-oxopropyl)-, ion(1-), calcium, calcium salt (2:1:1) (127277-53-6)

The Prohexadione calcium with the cas number 127277-53-6. It is also called calcium 1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate, which is also it's IUPAC name, and it's system Names are calcium bis(3,5-dioxo-4-propanoylcyclohexanecarboxylate) and Cyclohexanecarboxylic acid, 3,5-dioxo-4-(1-oxopropyl)-, ion(1-), calcium, calcium salt. It's status: modified ISO 1750 (published). And it is better stored at 0-6°C.

Physical properties about Prohexadione calcium are: (1)ACD/LogP: -0.55 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -3 ; (4)ACD/LogD (pH 7.4): -5 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 1 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 88.51 Å² ; (13)Flash Point: 243.1 °C ; (14)Enthalpy of Vaporization: 78.32 kJ/mol ; (15)Boiling Point: 454.9 °C at 760 mmHg ; (16)Vapour Pressure: 1.53E-09 mmHg at 25°C

Uses of Prohexadione calcium: This substance is a derivative of prohexadione and it is mainly used as plant growth regulators. It is mainly used for growth regulation on rice, wheat and barley, grow grass, with significantly lodging-resistance and stunted performance. Prohexadione calcium (PC) inhibits the same enzyme (3ß-hydroxyalase) as trinexapac-ethyl and may selectively suppress annual bluegrass. Field experiments were conducted by spraying Prohexadione calcium's influence on physiological characteristics and yield of peanut. Results show that Prohexadione calcium can significantly increase peanut leaf thickness and chlorophyll content, promoting the photosynthetic function; Improving activity of Protective enzyme such as SOD, POD and CAT protect enzymes and etc in leaves, Prohexadione calcium can control the overground part trophosome growth, increasing fruit weight, economic coefficient and pod yield effect. Results can be showed that Prohexadione calcium effect is better than paclobutrazol in many cases.

You can still convert the following datas into molecular structure :
(1).SMILES:[Ca+2].O=C(C1C(=O)CC(C([O-])=O)CC1=O)CC.[O-]C(=O)C1CC(=O)C(C(=O)CC)C(=O)C1
(2).InChI:InChI=1/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,9H,2-4H2,1H3,(H,14,15);/q;;+2/p-2

Toxic information ofProhexadione calcium can be showed as follows: