China (Mainland)
Acetic acid,2-mercapto-, octadecyl ester CAS NO.10220-46-9
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- Product Details
Keywords
- Aceticacid, mercapto-, octadecyl ester (7CI,8CI,9CI)
- Octadecylmercaptoacetate
- NSC 65478
Quick Details
- ProName: Acetic acid,2-mercapto-, octadecyl est...
- CasNo: 10220-46-9
- Application: The IUPAC name of Acetic acid,2-mercap...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: The IUPAC name of Acetic acid,2-mercap...
- LimitNum: 0 Metric Ton
Superiority
The IUPAC name of Acetic acid,2-mercapto-, octadecyl ester is octadecyl 2-sulfanylacetate. With the CAS registry number 10220-46-9, it is also named as Stearyl thioglycolate. The product should be stored in sealed, cool and dry place. In addition, its molecular formula is C20H40O2S and its molecular weight is 344.6.
The other characteristics of Acetic acid,2-mercapto-, octadecyl ester can be summarized as: (1)EINECS: 233-533-4; (2)ACD/LogP: 9.69; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 9.68; (5)ACD/LogD (pH 7.4): 9.62; (6)ACD/BCF (pH 5.5): 1000000; (7)ACD/BCF (pH 7.4): 1000000; (8)ACD/KOC (pH 5.5): 4412011.5; (9)ACD/KOC (pH 7.4): 3816343; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 20; (13)Polar Surface Area: 51.6 Å2; (14)Index of Refraction: 1.466; (15)Molar Refractivity: 104.37 cm3; (16)Molar Volume: 376.2 cm3; (17)Polarizability: 41.37×10-24cm3; (18)Surface Tension: 33.4 dyne/cm; (19)Density: 0.916 g/cm3; (20)Flash Point: 272.3 °C; (21)Enthalpy of Vaporization: 68.73 kJ/mol; (22)Boiling Point: 431.7 °C at 760 mmHg; (23)Vapour Pressure: 1.18E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCCCCCCCCCCCCCCCCCC)CS
(2)InChI: InChI=1/C20H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19-23/h23H,2-19H2,1H3
(3)InChIKey: JQTFPHLEQLLQOT-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C20H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19-23/h23H,2-19H2,1H3
(5)Std. InChIKey: JQTFPHLEQLLQOT-UHFFFAOYSA-N
Details
The IUPAC name of Acetic acid,2-mercapto-, octadecyl ester is octadecyl 2-sulfanylacetate. With the CAS registry number 10220-46-9, it is also named as Stearyl thioglycolate. The product should be stored in sealed, cool and dry place. In addition, its molecular formula is C20H40O2S and its molecular weight is 344.6.
The other characteristics of Acetic acid,2-mercapto-, octadecyl ester can be summarized as: (1)EINECS: 233-533-4; (2)ACD/LogP: 9.69; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 9.68; (5)ACD/LogD (pH 7.4): 9.62; (6)ACD/BCF (pH 5.5): 1000000; (7)ACD/BCF (pH 7.4): 1000000; (8)ACD/KOC (pH 5.5): 4412011.5; (9)ACD/KOC (pH 7.4): 3816343; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 20; (13)Polar Surface Area: 51.6 Å2; (14)Index of Refraction: 1.466; (15)Molar Refractivity: 104.37 cm3; (16)Molar Volume: 376.2 cm3; (17)Polarizability: 41.37×10-24cm3; (18)Surface Tension: 33.4 dyne/cm; (19)Density: 0.916 g/cm3; (20)Flash Point: 272.3 °C; (21)Enthalpy of Vaporization: 68.73 kJ/mol; (22)Boiling Point: 431.7 °C at 760 mmHg; (23)Vapour Pressure: 1.18E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCCCCCCCCCCCCCCCCCC)CS
(2)InChI: InChI=1/C20H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19-23/h23H,2-19H2,1H3
(3)InChIKey: JQTFPHLEQLLQOT-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C20H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19-23/h23H,2-19H2,1H3
(5)Std. InChIKey: JQTFPHLEQLLQOT-UHFFFAOYSA-N