Acetic acid,2-mercapto-, octadecyl ester supplier

Name
STEARYL THIOGLYCOLATE
EINECS 233-533-4
CAS No. 10220-46-9
Density 0.916 g/cm³
Solubility
Melting Point 28 °C
Formula C₂₀H₄₀O₂S
Boiling Point 431.7 °C at 760 mmHg
Molecular Weight 344.6
Flash Point 272.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, mercapto-, octadecyl ester (7CI,8CI,9CI);NSC 65478;Octadecylmercaptoacetate;Octadecyl thioglycolate;Stearyl thioglycolate;Thioglycolateoctadecyl ester;Thioglycolic acid octadecyl ester;
PSA 65.10000
LogP 6.72090

Acetic acid,2-mercapto-, octadecyl ester Specification

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

Product Name

STEARYL THIOGLYCOLATE

Acetic acid,2-mercapto-, octadecyl ester Specification

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