Cas no 26655-40-3 (Propanoic acid,3,3'-thiobis-, 1,1'-diisooctyl ester)
26655-40-3 structure
Product Name:Propanoic acid,3,3'-thiobis-, 1,1'-diisooctyl ester
CAS No:26655-40-3
MF:C22H42O4S
MW:402.631486415863
CID:283673
PubChem ID:117836
Update Time:2025-04-19
Propanoic acid,3,3'-thiobis-, 1,1'-diisooctyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3,3'-thiobis-, 1,1'-diisooctyl ester
- 6-methylheptyl 3-[3-(6-methylheptoxy)-3-oxopropyl]sulfanylpropanoate
- bis(6-methylheptyl) 3,3'-sulfanediyldipropanoate
- Diisooctyl 3,3'-thiobispropionate
- Propanoic acid, 3,3'-thiobis-, diisooctyl ester
- Propanoic acid, 3,3'-thiobis-, 1,1'-diisooctyl ester
- NS00028148
- SCHEMBL17758277
- DTXSID3067231
- EINECS 247-882-5
- 26655-40-3
-
- Inchi： 1S/C22H42O4S/c1-19(2)11-7-5-9-15-25-21(23)13-17-27-18-14-22(24)26-16-10-6-8-12-20(3)4/h19-20H,5-18H2,1-4H3
- InChI Key： VDZNRBPIVGKYDI-UHFFFAOYSA-N
- SMILES： S(CCC(=O)OCCCCCC(C)C)CCC(=O)OCCCCCC(C)C
Computed Properties
- Exact Mass: 402.28056
- Monoisotopic Mass: 402.28
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 20
- Complexity: 335
- 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
- XLogP3: 6.8
- Topological Polar Surface Area: 77.9?2
Experimental Properties
- Density: 0.974
- Boiling Point: 478.6°Cat760mmHg
- Flash Point: 214.9°C
- Refractive Index: 1.47
- PSA: 52.6
Propanoic acid,3,3'-thiobis-, 1,1'-diisooctyl ester Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
26655-40-3 (Propanoic acid,3,3'-thiobis-, 1,1'-diisooctyl ester) Related Products
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