2-Phenoxyethanol

2-Phenoxyethanol is an organic compound with the formula C₈H₁₀O₂, and its systematic name is the same with the product name. With the CAS registry number 122-99-6, it is also named as 2-Hydroxyethyl phenyl ether. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Ethylene Glycols & Monofunctional Ethylene Glycols; Monofunctional Ethylene Glycols. Its EINECS number is 204-589-7. In addition, the molecular weight is 138.16. Its classification codes are: (1)Anesthetics; (2)Anti-Infective Agents; (3)Anti-infective agents, local; (4)Central Nervous System Agents; (5)Central Nervous System Depressants; (6)Mutation data; (7)Skin / Eye Irritant. This chemical should be sealed and stored in a cool and dry place. It is used as a fixative for perfumes, an insect repellent, a topical antiseptic, a solvent for cellulose acetate, some dyes, inks, and resins, and it is also used in organic synthesis. 

Physical properties of 2-Phenoxyethanol are: (1)ACD/LogP: 1.247; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.22; (6)ACD/BCF (pH 7.4): 5.22; (7)ACD/KOC (pH 5.5): 113.65; (8)ACD/KOC (pH 7.4): 113.65; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.46 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 39.099 cm³; (15)Molar Volume: 127.449 cm³; (16)Polarizability: 15.5×10^-24cm³; (17)Surface Tension: 39.97 dyne/cm; (18)Density: 1.084 g/cm³; (19)Flash Point: 105.275 °C; (20)Enthalpy of Vaporization: 50.962 kJ/mol; (21)Boiling Point: 245.199 °C at 760 mmHg; (22)Vapour Pressure: 0.016 mmHg at 25°C.

Preparation: this chemical can be prepared by tert-butyl-dimethyl-(2-phenoxy-ethoxy)-silane at the temperature of 80 °C. This reaction will need reagent P(Me₂CHNCH₂CH₂)₃N and solvent dimethylsulfoxide with the reaction time of 36 hours. The yield is about 95%.

Uses of 2-Phenoxyethanol: it can be used to produce N-(2-phenoxyethoxy)phthalimide at the ambient temperature. It will need reagents diethyl azodicarboxylate, triphenylphosphine and solvent tetrahydrofuran with the reaction time of 16 hours. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)OCCO
(2)Std. InChI: InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
(3)Std. InChIKey: QCDWFXQBSFUVSP-UHFFFAOYSA-N

The toxicity data is as follows: