Benzoic acid,4-hydroxy-, 2-ethylhexyl ester (5153-25-3)

The cas register number of 2-Ethylhexyl 4-hydroxybenzoate is 5153-25-3. It also can be called as 4-Hydroxybenzoic acid 2-ethylhexyl ester and the IUPAC Name about this chemical is 2-ethylhexyl 4-hydroxybenzoate. It belongs to the Aromatic Esters.

Physical properties about 2-Ethylhexyl 4-hydroxybenzoate are: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.4; (4)ACD/LogD (pH 7.4): 5.34; (5)ACD/BCF (pH 5.5): 7466.81; (6)ACD/BCF (pH 7.4): 6457.98; (7)ACD/KOC (pH 5.5): 20593.71; (8)ACD/KOC (pH 7.4): 17811.32; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 35.53Ų; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 72.29 cm³; (15)Molar Volume: 241.6 cm³; (16)Polarizability: 28.66x10^-24cm³; (17)Surface Tension: 38.7 dyne/cm; (18)Enthalpy of Vaporization: 63.25 kJ/mol; (19)Vapour Pressure: 9.14E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical 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)Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)O
(2)InChI: InChI=1S/C15H22O3/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3
(3)InChIKey: VTIMKVIDORQQFA-UHFFFAOYSA-N