The 4-tert-Octylphenol, with the CAS registry number 140-66-9,is also known as 4-(1,1,3,3-Tetramethylbutyl)phenol. It belongs to the product categories of Aromatics;Mutagenesis Research Chemicals. This chemical's molecular formula is C₁₄H₂₂O and molecular weight is 206.33.Its EINECS number is 205-426-2. What's more,Its systematic name is 4-(1,1,3,3-Tetramethylbutyl)phenol .It is white powder which is a common environmental pollutant showing weak estrogenic effects. Has been shown to cause harm to the male reproductive system of vertebrates.It is widely used in manufacture of oil-soluble octyl phenolic resin, surface active agent, medicine, pesticides, additives, adhesives and ink fixing agent.

Physical properties about 4-tert-Octylphenol are:
(1)ACD/LogP:  5.18; (2)# of Rule of 5 Violations:  1; (3)ACD/LogD (pH 5.5):  5.18; (4)ACD/LogD (pH 7.4):  5.18; (5)ACD/BCF (pH 5.5):  5092.07; (6)ACD/BCF (pH 7.4):  5083.19; (7)ACD/KOC (pH 5.5):  15666.97; (8)ACD/KOC (pH 7.4):  15639.64; (9)#H bond acceptors:  1; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  4; (12)Index of Refraction:  1.501; (13)Molar Refractivity:  65.019 cm³; (14)Molar Volume:  220.626 cm³; (15)Surface Tension:  31.9559993743896 dyne/cm; (16)Density:  0.935 g/cm³; (17)Flash Point:  148.257 °C; (18)Enthalpy of Vaporization:  54.208 kJ/mol; (19)Boiling Point:  282.303 °C at 760 mmHg; (20)Vapour Pressure:  0.0020000000949949 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Oc1ccc(cc1)C(CC(C)(C)C)(C)C;
(2)Std. InChI:InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3;
(3)Std. InChIKey:ISAVYTVYFVQUDY-UHFFFAOYSA-N.

Safety Information of 4-tert-Octylphenol:
The 4-tert-Octylphenol is Harmful in contact with skin and irritating to skin .And there is risk of serious damage to the eyes.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice When you use it ,wear suitable protective clothing.

The toxicity data of 4-tert-Octylphenol as follows: