3'-Hydroxypropiophenone

Details:

1.Introduction of 3'-Hydroxypropiophenone

The 3'-Hydroxypropiophenone, with the CAS registry number 13103-80-5, is also known as 1-(3-Hydroxyphenyl)propan-1-one. Its EINECS number is 236-027-1. This chemical's molecular formula is C9H10O2 and molecular weight is 150.17. What's more, its systematic name is 1-(3-Hydroxyphenyl)-1-propanone

2.Physical properties of 3'-Hydroxypropiophenone

(1)ACD/LogP: 1.899; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.90; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 16.35; (6)ACD/BCF (pH 7.4): 16.03; (7)ACD/KOC (pH 5.5): 257.17; (8)ACD/KOC (pH 7.4): 252.10; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.3 ?2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 42.795 cm3; (15)Molar Volume: 135.9 cm3; (16)Polarizability: 16.965 10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.105 g/cm3; (19)Flash Point: 121.428 °C; (20)Enthalpy of Vaporization: 54.938 kJ/mol; (21)Boiling Point: 288.935 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

3.Structure of 3'-Hydroxypropiophenone

(1)SMILES: O=C(c1cc(O)ccc1)CC
(2)Std. InChI: InChI=1S/C9H10O2/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3
(3)Std. InChIKey: YXOGDBMOFMQLEU-UHFFFAOYSA-N
 

4.Safty information of 3'-Hydroxypropiophenone

3'-Hydroxypropiophenone is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.