Cas no 71662-52-7 ((3S,4S,8R)-8-ethyl-3-[(1S)-1-ethylhexyl]-4-propylundecyl octadecanoate)
![(3S,4S,8R)-8-ethyl-3-[(1S)-1-ethylhexyl]-4-propylundecyl octadecanoate structure](https://ossimg.kuujia.com/scimg/72000/71662-52-7x500.png)
71662-52-7 structure
Product Name:(3S,4S,8R)-8-ethyl-3-[(1S)-1-ethylhexyl]-4-propylundecyl octadecanoate
CAS No:71662-52-7
MF:C42H84O2
MW:621.115174293518
CID:1750639
PubChem ID:5748707
Update Time:2025-04-21
(3S,4S,8R)-8-ethyl-3-[(1S)-1-ethylhexyl]-4-propylundecyl octadecanoate Chemical and Physical Properties
Names and Identifiers
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- (3S,4S,8R)-8-ethyl-3-[(1S)-1-ethylhexyl]-4-propylundecyl octadecanoate
- [(3S,4S,8R)-8-ethyl-3-[(3S)-octan-3-yl]-4-propylundecyl] octadecanoate
- STEARIC ACID ALKYL(C24-28-BRANCHED) ESTERS
- 71662-52-7
- ZOCUBYMFUKYASF-NSSKNNNCSA-N
-
- Inchi： 1S/C42H84O2/c1-7-13-15-16-17-18-19-20-21-22-23-24-25-26-28-35-42(43)44-37-36-41(39(12-6)33-27-14-8-2)40(31-10-4)34-29-32-38(11-5)30-9-3/h38-41H,7-37H2,1-6H3/t38-,39+,40+,41+/m1/s1
- InChI Key： ZOCUBYMFUKYASF-NSSKNNNCSA-N
- SMILES： O(C(CCCCCCCCCCCCCCCCC)=O)CC[C@@H]([C@@H](CC)CCCCC)[C@@H](CCC)CCC[C@H](CC)CCC
Computed Properties
- Exact Mass: 620.64752
- Monoisotopic Mass: 620.64713192g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 44
- Rotatable Bond Count: 36
- Complexity: 572
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 19.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.854
- Boiling Point: 587.4°C at 760 mmHg
- Flash Point: 348.2°C
- Refractive Index: 1.457
- PSA: 26.3
(3S,4S,8R)-8-ethyl-3-[(1S)-1-ethylhexyl]-4-propylundecyl octadecanoate Related Literature
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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