Cas no 17630-08-9 (Hexadecanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester)
17630-08-9 structure
Product Name:Hexadecanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
CAS No:17630-08-9
MF:C21H42O5
MW:374.555187702179
CID:184952
PubChem ID:87202
Update Time:2025-04-19
Hexadecanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester Chemical and Physical Properties
Names and Identifiers
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- Hexadecanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
- [3-hydroxy-2,2-bis(hydroxymethyl)propyl] hexadecanoate
- 3-hydroxy-2,2-bis(hydroxymethyl)propyl palmitate
- 3-hydroxy-2,2-bis(hydroxymethyl)propyl hexadecanoate
- Pentaerythritol palmitate
- Pentaerythritol hexadecanoate
- 2,2-Bis(hydroxymethyl)-1,3-propanediol 1-palmitate
- 2,2-Bis(hydroxymethyl)-1,3-propanediol 1-hexadecanoate
- Palmitic acid 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
- Hexadecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
- EINECS 241-613-5
- 17630-08-9
- DTXSID40170110
- NS00025801
- SCHEMBL134077
-
- Inchi： 1S/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)26-19-21(16-22,17-23)18-24/h22-24H,2-19H2,1H3
- InChI Key： VURIDHCIBBJUDI-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCCCCCC)=O)CC(CO)(CO)CO
Computed Properties
- Exact Mass: 374.30336
- Monoisotopic Mass: 374.303224
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 20
- Complexity: 307
- 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
- Topological Polar Surface Area: 87
- XLogP3: 5.5
Experimental Properties
- Density: 1.008
- Boiling Point: 493.5°Cat760mmHg
- Flash Point: 157.6°C
- Refractive Index: 1.481
- PSA: 86.99
Hexadecanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
17630-08-9 (Hexadecanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester) Related Products
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