1,2-Benzenedicarboxylicacid, 1-(2-ethylhexyl) ester

The CAS registry number of Monoethylhexyl phthalate is 4376-20-9. The IUPAC name is 2-(2-ethylhexoxycarbonyl)benzoic acid. Its EINECS registry number is 224-477-1. In addition, the molecular formula is C₁₆H₂₂O₄ and the molecular weight is 278.34. It is a kind of clear colorless to cloudy white viscous liquid and insoluble in water. And it should be stored in a cool, ventilated and dry place.

Physical properties about Monoethylhexyl phthalate are: (1)ACD/LogP: 4.67 ; (2)ACD/LogD (pH 5.5): 2.57; (3)ACD/LogD (pH 7.4): 1.57; (4)ACD/BCF (pH 5.5): 16.76; (5)ACD/BCF (pH 7.4): 1.66; (6)ACD/KOC (pH 5.5): 66.6; (7)ACD/KOC (pH 7.4): 6.59; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 52.6 Å²; (12)Index of Refraction: 1.516; (13)Molar Refractivity: 77.34 cm³; (14)Molar Volume: 255.7 cm³; (15)Polarizability: 30.66 ×10^-24cm³; (16)Surface Tension: 41.7 dyne/cm; (17)Density: 1.088 g/cm³; (18)Flash Point: 144.1 °C; (19)Enthalpy of Vaporization: 69.7 kJ/mol; (20)Boiling Point: 408.9 °C at 760 mmHg; (21)Vapour Pressure: 2.03E-07 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(CC)CCCC)c1ccccc1C(=O)O
(2)InChI: InChI=1/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)
(3)InChIKey: DJDSLBVSSOQSLW-UHFFFAOYAE

The toxicity data is as follows: