ETHYL HYDROGEN SEBACATE

The CAS register number of Decanedioic acid,1-ethyl ester is 693-55-0. It also can be called as Sebacic acid, monoethyl ester and the IUPAC name about this chemical is 10-ethoxy-10-oxodecanoic acid. The molecular formula about this chemical is C₁₂H₂₂O₄ and the molecular weight is 230.3. It belongs to the Miscellaneous.

Physical properties about Decanedioic acid,1-ethyl ester are: (1)ACD/LogP: 2.86; (2)ACD/LogD (pH 5.5): 2.06; (3)ACD/LogD (pH 7.4): 0.26; (4)ACD/BCF (pH 5.5): 13.88; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 135.68; (7)ACD/KOC (pH 7.4): 2.18; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 52.6Ų; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 60.98 cm³; (14)Molar Volume: 224.7 cm³; (15)Polarizability: 24.17x10^-24cm³; (16)Surface Tension: 37.4 dyne/cm; (17)Enthalpy of Vaporization: 63.65 kJ/mol; (18)Boiling Point: 336 °C at 760 mmHg; (19)Vapour Pressure: 2.17E-05 mmHg at 25°.

Preparation: this chemical can be prepared by decanedioic acid and ethanol. This reaction will need reagentdiethyl sebacate, HCl and solvent dibutyl ether. The yield is about 82%.

Uses of Decanedioic acid,1-ethyl estere: it can be used to produce 8-cyano-octanoic acid ethyl ester at temperature of 20 ℃. This reaction is a kind of nitrosative cleavage. It will need reagent CF₃CO₂H, (CF₃CO)₂O, NaNO₂. The yield is about 72%.

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. 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: O=C(O)CCCCCCCCC(=O)OCC
(2)InChI: InChI=1/C12H22O4/c1-2-16-12(15)10-8-6-4-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)
(3)InChIKey: DLZCDMPHHUODDO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C12H22O4/c1-2-16-12(15)10-8-6-4-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)
(5)Std. InChIKey: DLZCDMPHHUODDO-UHFFFAOYSA-N