Cas no 31852-10-5 (Propanoic acid,thiobis-, dioctadecyl ester (9CI))
31852-10-5 structure
Product Name:Propanoic acid,thiobis-, dioctadecyl ester (9CI)
CAS No:31852-10-5
MF:C42H82O4S
MW:683.163093090057
CID:307289
Update Time:2026-05-14
Propanoic acid,thiobis-, dioctadecyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,thiobis-, dioctadecyl ester (9CI)
- dioctadecyl 2,2'-sulfanediyldipropanoate
- dioctadecyl 3,3'-sulfanediyldipropanoate
- Dioctadecyl thiodipropionate
- Propanoic acid, thiobis- dioctadecyl ester
- Propionic acid, thiodi-, dioctadecyl ester
-
- Inchi： InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
- InChI Key： PWWSSIYVTQUJQQ-UHFFFAOYSA-N
- SMILES： CCCCCCCCCCCCCCCCCCOC(CCSCCC(OCCCCCCCCCCCCCCCCCC)=O)=O
Computed Properties
- Exact Mass: 682.59376
- Monoisotopic Mass: 682.593382
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 47
- Rotatable Bond Count: 42
- Complexity: 574
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.9
Experimental Properties
- Density: 0.919
- Boiling Point: 704.8°Cat760mmHg
- Flash Point: 323.7°C
- Refractive Index: 1.472
- PSA: 52.6
Propanoic acid,thiobis-, dioctadecyl ester (9CI) Related Literature
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
31852-10-5 (Propanoic acid,thiobis-, dioctadecyl ester (9CI)) Related Products
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