Benzene,1-ethynyl-4-methoxy-2-methyl- (74331-69-4)

The 1-Ethynyl-4-methoxy-2-methylbenzene with cas registry number of 74331-69-4 belongs to the product categories of alkynes; organic building blocks; terminal. This chemical is also known as 4-Ethynyl-3-methylphenyl methyl ether and Benzene, 1-ethynyl-4-methoxy-2-methyl-. Its systematic name is called 1-Ethynyl-4-methoxy-2-methylbenzene.

Physical properties about this chemical are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 75.74; (6)ACD/BCF (pH 7.4): 75.74; (7)ACD/KOC (pH 5.5): 770.62; (8)ACD/KOC (pH 7.4): 770.62; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Melting Point: 30-34 °C; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 44.8 cm³; (15)Molar Volume: 146.1 cm³; (16)Surface Tension: 36.8 dyne/cm; (17)Density: 1 g/cm³; (18)Flash Point: 81.3 °C; (19)Enthalpy of Vaporization: 44.04 kJ/mol; (20)Boiling Point: 222.7 °C at 760 mmHg; (21)Vapour Pressure: 0.149 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The chemical that may cause inflammation to the skin or other mucous membranes irritate to eyes and may cause sensitisation by skin when you contact it. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you come into contact with this chemical, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H10O/c1-4-9-5-6-10(11-3)7-8(9)2/h1,5-7H,2-3H3;
(2)InChIKey: IETBNYUYILAKFK-UHFFFAOYAW;
(3)Std. InChI: InChI=1S/C10H10O/c1-4-9-5-6-10(11-3)7-8(9)2/h1,5-7H,2-3H3;
(4)Std. InChIKey: IETBNYUYILAKFK-UHFFFAOYSA-N.