Triton X-100(C₁₄H₂₂O(C₂H₄O)n) is a nonionic surfactant which has a hydrophilic polyethylene oxide chain and an aromatic hydrocarbon lipophilic or hydrophobic group. With the CAS No.9002-93-1,  it is also named as Octoxynol-9; Polyethylene glycol tert-octylphenyl ether. TRITON X-100 is soluble at 25℃ in water, toluene, xylene, trichloro-ethylene, ethylene glycol, ethyl ether, ethyl alcohol, isopropyl alcohol, ethylene dichloride but unless a coupling agent like oleic acid is used, is insoluble in kerosene, mineral spirits, and VM&P naphtha.

Physical properties about Triton X-100 are: (1)ACD/LogP: 4.992; (2)ACD/LogD (pH 5.5): 4.99; (3)ACD/LogD (pH 7.4): 4.99; (4)ACD/BCF (pH 5.5): 3661.38; (5)ACD/BCF (pH 7.4): 3661.38; (6)ACD/KOC (pH 5.5): 12372.32 ; (7)ACD/KOC (pH 7.4): 12372.32; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.496; (12)Molar Refractivity: 75.983 cm³; (13)Molar Volume: 260.211 cm³; (14)Polarizability: 30.122 10-24cm³; (15)Surface Tension: 32.8019981384277 dyne/cm; (16)Density: 0.962 g/cm³; (17)Flash Point: 136.562 °C; (18)Enthalpy of Vaporization: 62.878 kJ/mol; (19)Boiling Point: 351.17 °C at 760 mmHg

Uses of Triton X-100: Triton X-100 is a commonly used detergent in laboratories. Apart from laboratory use, Triton X-100 can be found in several types of cleaning compounds,[6] ranging from heavy-duty industrial products to gentle detergents. It is also a popular ingredient in homemade vinyl record cleaning fluids together with distilled water and isopropyl alcohol.

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing;
3. Wear eye/face protection;
4. Avoid release to the environment. Refer to special instructions safety data sheet;
5. Wear suitable protective clothing and eye/face protection;
6. Wear suitable protective clothing, gloves and eye/face protection;

You can still convert the following datas into molecular structure:
(1)SMILES:O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCO;
(2)Std. InChI:InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3;
(3)Std. InChIKey:JYCQQPHGFMYQCF-UHFFFAOYSA-N

The toxicity data is as follows: