ACETIC ACID 2-PHENOXYETHYL ESTER

2-Phenoxyethyl acetate is an organic compound with the formula C₁₀H₁₂O₃, and its systematic name is the same with the product name. With the CAS registry number 6192-44-5, it is also named as Ethylene glycol phenyl ether acetate. In addition, the molecular weight is 180.20. Its classification codes are: (1)Agricultural Chemical; (2)Insect attractant, repellent and chemosterilant. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. It is used as solvent, and it is also used to prepare photosensitizer, photopolymerization initiator and vermifuge.

Physical properties of 2-Phenoxyethyl acetate are: (1)ACD/LogP: 1.752; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.64; (6)ACD/BCF (pH 7.4): 12.64; (7)ACD/KOC (pH 5.5): 213.86; (8)ACD/KOC (pH 7.4): 213.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 48.605 cm³; (15)Molar Volume: 166.438 cm³; (16)Polarizability: 19.268×10^-24cm³; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 1.083 g/cm³; (19)Flash Point: 95.263 °C; (20)Enthalpy of Vaporization: 48.066 kJ/mol; (21)Boiling Point: 243.638 °C at 760 mmHg; (22)Vapour Pressure: 0.03 mmHg at 25°C.

Preparation of 2-Phenoxyethyl acetate: this chemical can be prepared by acetic acid and 2-phenoxy-ethanol by heating. This reaction will need reagent acetic anhydride with the reaction time of 6 hours. The yield is about 59%.

Uses of 2-Phenoxyethyl acetate: it can be used to produce 1-acetoxy-2-(4-acetylphenoxy)ethane at the ambient temperature. It will need reagent polyphosphoric acid with the reaction time of 4 days. The yield is about 68%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCOc1ccccc1)C
(2)Std. InChI: InChI=1S/C10H12O3/c1-9(11)12-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
(3)Std. InChIKey: WHFKYDMBUMLWDA-UHFFFAOYSA-N 

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	3700uL/kg (3.7mL/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rat	LD50	oral	4900uL/kg (4.9mL/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rat	LD50	skin	9mL/kg (9mL/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"	Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.