Butanedioic acid,1,4-bis(1-methylethyl) ester (924-88-9)

The IUPAC name of Diisopropyl succinate is dipropan-2-yl butanedioate. With the CAS registry number 924-88-9, it is also named as Butanedioic acid, 1,4-bis(1-methylethyl) ester. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. It is colorless transparent liquid which is insoluble in water and miscible with many organic solvents. In addition, this chemical is used as intermediate of plastics, dyes and spices.

The other characteristics of Diisopropyl succinate can be summarized as: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.03; (6)ACD/BCF (pH 7.4): 18.03; (7)ACD/KOC (pH 5.5): 275.89; (8)ACD/KOC (pH 7.4): 275.89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.428; (13)Molar Refractivity: 51.84 cm³; (14)Molar Volume: 201.3 cm³; (15)Polarizability: 20.55×10^-24 cm³; (16)Surface Tension: 30.7 dyne/cm; (17)Enthalpy of Vaporization: 46.46 kJ/mol; (18)Vapour Pressure: 0.0752 mmHg at 25°C; (19)Rotatable Bond Count: 7; (20)Exact Mass: 202.120509; (21)MonoIsotopic Mass: 202.120509; (22)Topological Polar Surface Area: 52.6; (23)Heavy Atom Count: 14; (24)Complexity: 174.

Preparation of Diisopropyl succinate: It can be obtained by propan-2-ol and succinic acid. This reaction needs reagent thionyl chloride and
sodium carbonate by heating. The reaction time is 2 hours. The yield is 90%. 

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. 

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)C)CCC(=O)OC(C)C
2. InChI:InChI=1/C10H18O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h7-8H,5-6H2,1-4H3
3. InChIKey:YPLYFEUBZLLLIY-UHFFFAOYAZ