Oxirane, 2-hexadecyl- (7390-81-0)

The CAS register number of 1,2-Epoxyoctadecane is 7390-81-0. It also can be called as Oxirane, 2-hexadecyl- and the IUPAC name about this chemical is 2-hexadecyloxirane. The molecular formula about this chemical is C₁₈H₃₆O and the molecular weight is 268.48. It belongs to the following product categories, such as Oxiranes; Simple 3-Membered Ring Compounds and so on.

Physical properties about 1,2-Epoxyoctadecane are: (1)ACD/LogP: 8.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.1; (4)ACD/LogD (pH 7.4): 8.1; (5)ACD/BCF (pH 5.5): 836655.88; (6)ACD/BCF (pH 7.4): 836655.88; (7)ACD/KOC (pH 5.5): 603848.69; (8)ACD/KOC (pH 7.4): 603848.69; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 15; (11)Polar Surface Area: 12.53Ų; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 85.01 cm³; (14)Molar Volume: 312.9 cm³; (15)Polarizability: 33.7x10^-24cm³; (16)Surface Tension: 32.2 dyne/cm; (17)Enthalpy of Vaporization: 57.95 kJ/mol; (18)Boiling Point: 357.9 °C at 760 mmHg; (19)Vapour Pressure: 5.45E-05 mmHg at 25°C.

Uses of 1,2-Epoxyoctadecane: it can be used to produce octadecane-1,2-diol at heating. This reaction will need reagent aq. H₂SO₄ and solvent 2-methyl-propan-2-ol with reaction time of 16 hours. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O1C(CCCCCCCCCCCCCCCC)C1
(2)InChI: InChI=1/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3
(3)InChIKey: QBJWYMFTMJFGOL-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3
(5)Std. InChIKey: QBJWYMFTMJFGOL-UHFFFAOYSA-N