1-Eth-1-ynyl-4-propylbenzene

The systematic name of 1-Eth-1-ynyl-4-propylbenzene is 1-ethynyl-4-propylbenzene. With the CAS registry number 62452-73-7, it is also named as 4-Propylphenylacetylene. The product's categories are Aromatic Compounds; Blocks; Miscellaneous; Phenyls & Phenyl-Het; Acetylenes. It is yellow liquid which is sensitive to light. And it can be used as intermediate of liquid crystals. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of 1-Eth-1-ynyl-4-propylbenzene can be summarized as: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 564.04; (6)ACD/BCF (pH 7.4): 564.04; (7)ACD/KOC (pH 5.5): 3243.32; (8)ACD/KOC (pH 7.4): 3243.32; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 47.69 cm³; (15)Molar Volume: 156.6 cm³; (16)Polarizability: 18.9×10^-24 cm³; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 0.92 g/cm³; (19)Flash Point: 67.1 °C; (20)Enthalpy of Vaporization: 42.31 kJ/mol; (21)Boiling Point: 204.9 °C at 760 mmHg; (22)Vapour Pressure: 0.368 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. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:C#Cc1ccc(cc1)CCC
2. InChI:InChI=1/C11H12/c1-3-5-11-8-6-10(4-2)7-9-11/h2,6-9H,3,5H2,1H3
3. InChIKey:UVFFOABHOIMLNB-UHFFFAOYAP
4. Std. InChI:InChI=1S/C11H12/c1-3-5-11-8-6-10(4-2)7-9-11/h2,6-9H,3,5H2,1H3
5. Std. InChIKey:UVFFOABHOIMLNB-UHFFFAOYSA-N