1.Introduction of 2-Allylphenol

The 2-Allylphenol, with the CAS registry number 1745-81-9, is also known as o-Allylphenol. It belongs to the product categories of Benzene Derivatives; Organic Building Blocks; Oxygen Compounds; Phenols. Its EINECS registry number is 217-119-0. This chemical's molecular formula is C₉H₁₀O and molecular weight is 134.18. What's more, its IUPAC name is called 2-Prop-2-enylphenol. It should be stored in a cool, dry and well-ventilated place.

2.Physical properties about 2-Allylphenol

(1)ACD/LogP: 2.441; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 42.20; (6)ACD/BCF (pH 7.4): 42.15; (7)ACD/KOC (pH 5.5): 507.00; (8)ACD/KOC (pH 7.4): 506.37; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 42.042 cm³; (15)Molar Volume: 132.281 cm³; (16)Polarizability: 16.667×10^-24cm³; (17)Surface Tension: 37.650 dyne/cm; (18)Density: 1.014 g/cm³; (19)Flash Point: 88.889 °C; (20)Enthalpy of Vaporization: 47.5 kJ/mol; (21)Boiling Point: 219.999 °C at 760 mmHg; (22)Vapour Pressure: 0.078 mmHg at 25 °C.

3.Structure descriptors of 2-Allylphenol

(1) SMILES: Oc1ccccc1C/C=C
(2) InChI: InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
(3) InChIKey: QIRNGVVZBINFMX-UHFFFAOYSA-N

4.Preparation of 2-Allylphenol

The 2-Allylphenol can be prepared by allyloxy-benzene. This reaction needs reagent 1,2-bis(3-chloro-2-hydroxy-5-methylbenzyl)benzene and solvent CH₂Cl₂ at temperature of 20 °C. The reaction is rearrangement reaction. The yield is 92 %.

5. Uses of 2-Allylphenol

(1) it is used in organic synthesis; (2) it is used to produce other chemicals. For example, it can react with diazomethane to get 2-allyl-anisole. The reaction occurs with solvents diethyl ether and methanol at temperature of 0 °C. The yield is 45 %.

6.Safety information of 2-Allylphenol

This chemical may destroy living tissue on contact and may cause inflammation to the skin or other mucous membranes. It is harmful in contact with skin and if swallowed and it may cause burns. In addition, it is irritating to eyes and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You can not breathe the gas/fumes/vapour/spray and should avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.