1,2-Benzenedicarboxylicacid, 1,2-diisodecyl ester (26761-40-0)

The IUPAC name of Phthalic acid, diisodecyl ester is bis(8-methylnonyl) benzene-1,2-dicarboxylate. With the CAS registry number 26761-40-0, it is also named as 1,2-Benzenedicarboxylic acid, diisodecyl ester. The product's categories are Functional Materials; Phthalates (Plasticizer); Plasticizer; Analytical / Chromatography; Ion Sensor Materials; Plasticizer for ISE. It is colorless liquid which is insoluble in water. In addition, this chemical is highly toxic and flammable. When buring, it will produce irritant fumes. So the storage environment should be ventilate, low-temperature and dry. Keep Phthalic acid, diisodecyl ester separate from raw materials of food. It is dangerous to people, so we should not breathe vapour and avoid contact with skin and eyes. Moreover, it this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 10.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.83; (4)ACD/LogD (pH 7.4): 10.83; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 20; (8)Index of Refraction: 1.486; (9)Molar Refractivity: 133.1 cm³; (10)Molar Volume: 463 cm³; (11)Polarizability: 52.76×10^-24 cm³; (12)Surface Tension: 35.1 dyne/cm; (13)Flash Point: 227.6 °C; (14)Enthalpy of Vaporization: 68.05 kJ/mol; (15)Boiling Point: 425.8 °C at 760 mmHg; (16)Vapour Pressure: 1.86E-07 mmHg at 25°C; (17)Rotatable Bond Count: 20; (18)Exact Mass: 446.33961; (19)MonoIsotopic Mass: 446.33961; (20)Topological Polar Surface Area: 52.6; (21)Heavy Atom Count: 32; (22)Complexity: 442.

Uses of Phthalic acid, diisodecyl ester: It is mainly used as plasticizers and used primarily to soften polyvinyl chloride. In addition, this chemical is used in a large variety of products, from enteric coatings of pharmaceutical pills and nutritional supplements to viscosity control agents, gelling agents, film formers, stabilizers, dispersants, lubricants, binders, emulsifying agents, and suspending agents.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C
2. InChI:InChI=1/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3

The following are the toxicity data which has been tested.

The IUPAC name of Phthalic acid, diisodecyl ester is bis(8-methylnonyl) benzene-1,2-dicarboxylate. With the CAS registry number 26761-40-0, it is also named as 1,2-Benzenedicarboxylic acid, diisodecyl ester. The product's categories are Functional Materials; Phthalates (Plasticizer); Plasticizer; Analytical / Chromatography; Ion Sensor Materials; Plasticizer for ISE. It is colorless liquid which is insoluble in water. In addition, this chemical is highly toxic and flammable. When buring, it will produce irritant fumes. So the storage environment should be ventilate, low-temperature and dry. Keep Phthalic acid, diisodecyl ester separate from raw materials of food. It is dangerous to people, so we should not breathe vapour and avoid contact with skin and eyes. Moreover, it this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 10.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.83; (4)ACD/LogD (pH 7.4): 10.83; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 20; (8)Index of Refraction: 1.486; (9)Molar Refractivity: 133.1 cm³; (10)Molar Volume: 463 cm³; (11)Polarizability: 52.76×10^-24 cm³; (12)Surface Tension: 35.1 dyne/cm; (13)Flash Point: 227.6 °C; (14)Enthalpy of Vaporization: 68.05 kJ/mol; (15)Boiling Point: 425.8 °C at 760 mmHg; (16)Vapour Pressure: 1.86E-07 mmHg at 25°C; (17)Rotatable Bond Count: 20; (18)Exact Mass: 446.33961; (19)MonoIsotopic Mass: 446.33961; (20)Topological Polar Surface Area: 52.6; (21)Heavy Atom Count: 32; (22)Complexity: 442.

Uses of Phthalic acid, diisodecyl ester: It is mainly used as plasticizers and used primarily to soften polyvinyl chloride. In addition, this chemical is used in a large variety of products, from enteric coatings of pharmaceutical pills and nutritional supplements to viscosity control agents, gelling agents, film formers, stabilizers, dispersants, lubricants, binders, emulsifying agents, and suspending agents.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCCC(C)C
2. InChI:InChI=1/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3

The following are the toxicity data which has been tested.