(S)-(+)-2-DECANOL

The 2-Decanol, (2S)-, with the CAS registry number 33758-16-6, is also known as (+)-2-Decanol. This chemical's molecular formula is C₁₀H₂₂O and molecular weight is 158.28. What's more, its systematic name is (2S)-decan-2-ol.

Physical properties of 2-Decanol, (2S)- are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/BCF (pH 5.5): 522.77; (5)ACD/KOC (pH 5.5): 3071.62; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 8; (9)Polar Surface Area: 9.23 Å²; (10)Index of Refraction: 1.434 ; (11)Molar Refractivity: 49.87 cm³; (12)Molar Volume: 191.4 cm³; (13)Surface Tension: 28.9 dyne/cm; (14)Density: 0.826 g/cm³; (15)Flash Point: 85 °C; (16)Enthalpy of Vaporization: 52.16 kJ/mol; (17)Boiling Point: 212.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0393 mmHg at 25°C.

Preparation: this chemical can be prepared by decan-2-one at the temperature of 30 °C. This reaction will need reagent cyclopentanol, NAD+, alcohol dehydrogenase from Geotrichum candidum, 2-(N-morpholino)ethanesulfonic acid (MES) with the reaction time of 20 hours and pH value of 7.0. The yield is about 87%.

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, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H](CCCCCCCC)C
(2)InChI: InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3/t10-/m0/s1
(3)InChIKey: ACUZDYFTRHEKOS-JTQLQIEISA-N