Cas no 57012-88-1 (Dodecanoic acid,oxydi-3,1,2-propanetriyl ester (9CI))
57012-88-1 structure
Product Name:Dodecanoic acid,oxydi-3,1,2-propanetriyl ester (9CI)
CAS No:57012-88-1
MF:C54H102O9
MW:895.382298946381
CID:367731
PubChem ID:6453426
Update Time:2025-04-19
Dodecanoic acid,oxydi-3,1,2-propanetriyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Dodecanoic acid,oxydi-3,1,2-propanetriyl ester (9CI)
- [3-[2,3-di(dodecanoyloxy)propoxy]-2-dodecanoyloxypropyl] dodecanoate
- oxydipropane-3,1,2-triyl tetralaurate
- oxydipropane-3,1,2-triyl tetradodecanoate
- 57012-88-1
- NS00123958
- DTXSID30972504
- Oxydi(propane-3,1,2-triyl) tetradodecanoate
- EINECS 260-513-2
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- Inchi： 1S/C54H102O9/c1-5-9-13-17-21-25-29-33-37-41-51(55)60-47-49(62-53(57)43-39-35-31-27-23-19-15-11-7-3)45-59-46-50(63-54(58)44-40-36-32-28-24-20-16-12-8-4)48-61-52(56)42-38-34-30-26-22-18-14-10-6-2/h49-50H,5-48H2,1-4H3
- InChI Key： OASMYGNUSRKXSJ-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCC)=O)C(COC(CCCCCCCCCCC)=O)COCC(COC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 894.75276
- Monoisotopic Mass: 894.752385
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 63
- Rotatable Bond Count: 54
- Complexity: 939
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 114
- XLogP3: 20.4
Experimental Properties
- Density: 0.951
- Boiling Point: 824°Cat760mmHg
- Flash Point: 306.1°C
- Refractive Index: 1.466
- PSA: 114.43
Dodecanoic acid,oxydi-3,1,2-propanetriyl ester (9CI) Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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