ISOAMYL ALCOHOL

The Pentanol, with the CAS registry number 30899-19-5 and EINECS registry number 204-633-5, has the systematic name of pentan-1-ol. It is a clear liquid with unpleasant aroma, and the molecular formula of the chemical is C₅H₁₂O.

The characteristics of Pentanol are as followings: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.9; (6)ACD/BCF (pH 7.4): 6.9; (7)ACD/KOC (pH 5.5): 138.73; (8)ACD/KOC (pH 7.4): 138.73; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.407; (14)Molar Refractivity: 26.74 cm³; (15)Molar Volume: 108.5 cm³; (16)Polarizability: 10.6×10^-24cm³; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 0.811 g/cm³; (19)Flash Point: 48.9 °C; (20)Enthalpy of Vaporization: 43.78 kJ/mol; (21)Boiling Point: 138.5 °C at 760 mmHg; (22)Vapour Pressure: 2.81 mmHg at 25°C.

Preparation and uses of Pentanol: It can be prepared by fractional distillation of fusel oil. To reduce the use of fossil fuels, research is underway to discover cost effective methods of utilizing fermentation to produce Bio-Pentanol. Pentanol can be used as a solvent for coating CDs and DVDs. Another use is a replacement for gasoline.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to respiratory system. It is also harmful by inhalation, and if repeated exposure, it may cause skin dryness or cracking. Therefore, If swallowed, you should seek medical advice immediately and show this container or label.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCCCC
(2)InChI: InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
(3)InChIKey: AMQJEAYHLZJPGS-UHFFFAOYAF