Cas no 25354-61-4 (Hexadecanoic acid,2,2-bis(hydroxymethyl)-1,3-propanediyl ester (9CI))
25354-61-4 structure
Product Name:Hexadecanoic acid,2,2-bis(hydroxymethyl)-1,3-propanediyl ester (9CI)
Hexadecanoic acid,2,2-bis(hydroxymethyl)-1,3-propanediyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Hexadecanoic acid,2,2-bis(hydroxymethyl)-1,3-propanediyl ester (9CI)
- [2-(hexadecanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] hexadecanoate
- 2,2-bis(hydroxymethyl)propane-1,3-diyl dihexadecanoate
- 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate
- EINECS 246-882-2
- [2-(Hexadecanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl]hexadecanoate
- DTXSID70180000
- NS00021941
- SCHEMBL2700370
- 25354-61-4
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- Inchi： 1S/C37H72O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(40)42-33-37(31-38,32-39)34-43-36(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-34H2,1-2H3
- InChI Key： QSLBMRULKKYEHX-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCCCCCC)=O)CC(CO)(CO)COC(CCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 612.53316
- Monoisotopic Mass: 612.533
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 43
- Rotatable Bond Count: 36
- Complexity: 556
- 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: 13.4
- Topological Polar Surface Area: 93.1?2
Experimental Properties
- Density: 0.955
- Boiling Point: 640.1°Cat760mmHg
- Flash Point: 176.8°C
- Refractive Index: 1.473
- PSA: 93.06
Hexadecanoic acid,2,2-bis(hydroxymethyl)-1,3-propanediyl ester (9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
25354-61-4 (Hexadecanoic acid,2,2-bis(hydroxymethyl)-1,3-propanediyl ester (9CI)) Related Products
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