Phenol,2-(1,1-dimethylethyl)-

The 2-tert-Butylphenol, with the cas registry number 88-18-6, is a kind of clear liquid. Its product categories are including Industrial/Fine Chemicals; Organic Building Blocks; Oxygen Compounds; Phenols.

The characteristics of this chemical are as follows: (1)ACD/LogP: 3.17; (2)ACD/LogD (pH 5.5): 3.17; (3)ACD/LogD (pH 7.4): 3.17; (4)ACD/BCF (pH 5.5): 151.15; (5)ACD/BCF (pH 7.4): 151.14; (6)ACD/KOC (pH 5.5): 1263.67; (7)ACD/KOC (pH 7.4): 1263.53; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 46.52 cm³; (14)Molar Volume: 154.5 cm³; (15)Polarizability: 18.44 ×10^-24 cm³; (16)Surface Tension: 32.9 dyne/cm; (17)Density: 0.971 g/cm³; (18)Flash Point: 98.9 °C; (19)Enthalpy of Vaporization: 47.61 kJ/mol; (20)Boiling Point: 221 °C at 760 mmHg; (21)Vapour Pressure: 0.074 mmHg at 25°C; (22)Exact Mass: 150.104465; (23)MonoIsotopic Mass: 150.104465; (24)Topological Polar Surface Area: 20.2; (25)Heavy Atom Count: 11; (26)Complexity: 123.

The production method is as below: 2-methyl-propene could react with phenol to produce 2-tert-Butylphenol, with the following condition: reagent: aluminium phenolate; reaction temp.: 115-170 ℃; reaction pressure: 2942.03 - 10297.1.

Use of 2-tert-Butylphenol is as below: 2-tert-Butylphenol could react with chloroacetic acid to produce (2-tert-butyl-phenoxy)-acetic acid, with the following condition: reagent:aqueous NaOH.

When dealing with this chemical, you should be cautious and then take some measures to protect yourself. For one thing, it is toxic. It may at low levels cause damage to health, and It is harmful if by inhalation, in contact with skin or if swallowed. Then it may cause burn. For anothe thing, it is dangerous for the environment. It may present an immediate or delayed danger to one or more components of the environment, and then being toxic to aquatic organisms, it may cause long-term adverse effects in the aquatic environment. Therefore, we could take the following instructions.
In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Wear suitable protective clothing, gloves and eye/face protection, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Besides, avoid releasig to the environment, with refering to special instructions/safety data sheet.

Additionally, the following data information could be converted into the molecular structure:
(1)SMILES:Oc1ccccc1C(C)(C)C
(2)InChI:InChI=1/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
(3)InChIKey:WJQOZHYUIDYNHM-UHFFFAOYAN

Below are the toxicity information of this chemical: