Cas no 35098-84-1 (1-(hydroxymethyl)-1,2-ethanediyl bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoate])
![1-(hydroxymethyl)-1,2-ethanediyl bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoate] structure](https://ossimg.kuujia.com/scimg/35500/35098-84-1x500.png)
35098-84-1 structure
Product Name:1-(hydroxymethyl)-1,2-ethanediyl bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoate]
CAS No:35098-84-1
MF:C39H64O5
MW:612.922472953796
CID:873900
PubChem ID:53422221
Update Time:2025-04-19
1-(hydroxymethyl)-1,2-ethanediyl bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoate] Chemical and Physical Properties
Names and Identifiers
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- 1-(hydroxymethyl)-1,2-ethanediyl bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoate]
- (3-hydroxy-2-octadeca-9,12,15-trienoyloxypropyl) octadeca-9,12,15-trienoate
- [1-(hydroxymethyl)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-ethyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
- 1-(Hydroxymethyl)-1,2-ethanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate)
-
- Inchi： 1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3
- InChI Key： RAPBJBKXYYMYAY-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCC=CCC=CCC=CCC)=O)C(CO)COC(CCCCCCCC=CCC=CCC=CCC)=O
Computed Properties
- Exact Mass: 612.47562
- Monoisotopic Mass: 612.47537514g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 44
- Rotatable Bond Count: 32
- Complexity: 834
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 6
- XLogP3: 11.6
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- Density: 0.959
- Boiling Point: 668.1°C at 760 mmHg
- Flash Point: 188°C
- Refractive Index: 1.5
- PSA: 72.83
1-(hydroxymethyl)-1,2-ethanediyl bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoate] Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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