Cas no 10332-31-7 (Dodecanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester)
10332-31-7 structure
Product Name:Dodecanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
Dodecanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
- [3-hydroxy-2,2-bis(hydroxymethyl)propyl] dodecanoate
- 3-hydroxy-2,2-bis(hydroxymethyl)propyl laurate
- SCHEMBL324040
- DTXSID3065037
- EINECS 233-722-1
- [3-Hydroxy-2,2-bis(hydroxymethyl)propyl]dodecanoate
- Dodecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
- NS00023221
- EY6BPT7FQN
- 10332-31-7
- dodecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propylester
-
- Inchi： 1S/C17H34O5/c1-2-3-4-5-6-7-8-9-10-11-16(21)22-15-17(12-18,13-19)14-20/h18-20H,2-15H2,1H3
- InChI Key： ZJLATTXAOOPYRU-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCC)=O)CC(CO)(CO)CO
Computed Properties
- Exact Mass: 318.24072
- Monoisotopic Mass: 318.240624
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 16
- Complexity: 256
- 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: 3.3
Experimental Properties
- Density: 1.043
- Boiling Point: 443.2°Cat760mmHg
- Flash Point: 148°C
- PSA: 86.99
Dodecanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester Related Literature
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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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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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