Cas no 6940-09-6 (tetrahydrofurfuryl stearate)
tetrahydrofurfuryl stearate structure
Product Name:tetrahydrofurfuryl stearate
tetrahydrofurfuryl stearate Chemical and Physical Properties
Names and Identifiers
-
- tetrahydrofurfuryl stearate
- Tetrahydrofurfuryl stearate; AG-G-69996; NSC38463; AC1L3Z7L; SureCN3163763; CTK5C9693; EINECS 230-080-4; NSC-38463;
- NSC38463
- Octadecanoic acid, (tetrahydro-2-furanyl)methyl ester
- NSC-38463
- NSC 38463
- NS00043286
- oxolan-2-ylmethyl octadecanoate
- SCHEMBL3163763
- AI3-03516
- 6940-09-6
- EINECS 230-080-4
- DTXSID80871174
-
- Inchi： 1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(24)26-21-22-18-17-20-25-22/h22H,2-21H2,1H3
- InChI Key： RYQKMSDUKYBZSD-UHFFFAOYSA-N
- SMILES： O1CCCC1COC(CCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 368.32922
- Monoisotopic Mass: 368.32904526g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 19
- Complexity: 317
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.9
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 0.9140
- Melting Point: 22°C
- Boiling Point: 438.89°C (rough estimate)
- Refractive Index: 1.4700 (estimate)
- PSA: 35.53
- LogP: 6.97010
tetrahydrofurfuryl stearate Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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