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Name |
Propanoic acid,3,3'-sulfinylbis-, didodecyl ester (9CI) |
EINECS | 241-276-4 |
CAS No. | 17243-14-0 | Density | 0.982g/cm3 |
PSA | 88.88000 | LogP | 9.30920 |
Solubility | N/A | Melting Point |
N/A |
Formula | C30H58O5S | Boiling Point | 628.6 °C at 760 mmHg |
Molecular Weight | 530.854 | Flash Point | 333.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Propionicacid, 3,3'-sulfinyldi-, didodecyl ester (8CI);Didodecyl3,3'-sulfinyldipropionate;Dilauryl sulfinyl-b,b'-dipropionate; |
The Propanoic acid,3,3'-sulfinylbis-, didodecyl ester (9CI), with CAS registry number 17243-14-0, has the systematic name of didodecyl 3,3'-sulfinyldipropanoate. Besides this, it is also called 3,3'-Sulfinylbis(propionic acid dodecyl) ester. And the chemical formula of this chemical is C30H58O5S. What's more, its EINECS is 241-276-4.
Physical properties of Propanoic acid,3,3'-sulfinylbis-, didodecyl ester (9CI): (1)ACD/LogP: 11.03; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.03; (4)ACD/LogD (pH 7.4): 11.03; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 30; (12)Polar Surface Area: 88.88 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 153.44 cm3; (15)Molar Volume: 540.2 cm3; (16)Polarizability: 60.83×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 0.982 g/cm3; (19)Flash Point: 333.9 °C; (20)Enthalpy of Vaporization: 93 kJ/mol; (21)Boiling Point: 628.6 °C at 760 mmHg; (22)Vapour Pressure: 1.03E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCC)CCS(=O)CCC(=O)OCCCCCCCCCCCC
(2)InChI: InChI=1/C30H58O5S/c1-3-5-7-9-11-13-15-17-19-21-25-34-29(31)23-27-36(33)28-24-30(32)35-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
(3)InChIKey: XQQARSOXXGMYHZ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C30H58O5S/c1-3-5-7-9-11-13-15-17-19-21-25-34-29(31)23-27-36(33)28-24-30(32)35-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
(5)Std. InChIKey: XQQARSOXXGMYHZ-UHFFFAOYSA-N