ETHYL TETRAHYDROPYRAN-4-YL-ACETATE

The IUPAC name of 2H-Pyran-4-acetic acid,tetrahydro-, ethyl ester is ethyl 2-(oxan-4-yl)acetate. With the CAS registry number 103260-44-2, it is also named as (Tetrahydropyran-4-yl)acetic acid ethylester. The product's categories are Blocks; Carboxes; Heterocycles. In addition, its molecular formula is C₉H₁₆O₃ and its molecular weight is 172.22.

The other characteristics of 2H-Pyran-4-acetic acid,tetrahydro-, ethyl ester can be summarized as: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.36; (6)ACD/BCF (pH 7.4): 4.36; (7)ACD/KOC (pH 5.5): 99.79; (8)ACD/KOC (pH 7.4): 99.79; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 45.03 cm³; (15)Molar Volume: 171.5 cm³; (16)Polarizability: 17.85×10^-24cm³; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.003 g/cm³; (19)Flash Point: 96.7 °C; (20)Enthalpy of Vaporization: 46.49 kJ/mol; (21)Boiling Point: 228.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0739 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. Please do not breathe vapour. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)CC1CCOCC1
(2)InChI: InChI=1/C9H16O3/c1-2-12-9(10)7-8-3-5-11-6-4-8/h8H,2-7H2,1H3
(3)InChIKey: JLMMMEDWRUVCEW-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H16O3/c1-2-12-9(10)7-8-3-5-11-6-4-8/h8H,2-7H2,1H3
(5)Std. InChIKey: JLMMMEDWRUVCEW-UHFFFAOYSA-N