Cas no 54541-18-3 (2-Hydroxyisopropyl propionate)
2-Hydroxyisopropyl propionate structure
Product Name:2-Hydroxyisopropyl propionate
CAS No:54541-18-3
MF:C6H12O3
MW:132.157682418823
CID:375613
Update Time:2023-08-02
2-Hydroxyisopropyl propionate Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol,2-propanoate
- 2-hydroxyisopropyl propionate
- 2-hydroxy-1-methylethyl propanoate
- propan-2-yl 2-hydroxypropanoate
- 1-hydroxypropan-2-yl Propanoate
- 1,2-Propylene glycol 2-propionate
- 2-Hydroxyisopropyl propionate
-
- Inchi： 1S/C6H12O3/c1-3-6(8)9-5(2)4-7/h5,7H,3-4H2,1-2H3
- InChI Key： SZLBUGKDPCQASQ-UHFFFAOYSA-N
- SMILES： O(C(CC)=O)C(C)CO
Computed Properties
- Exact Mass: 132.078644
- Monoisotopic Mass: 132.078644
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 90.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.5
Experimental Properties
- Density: 1.025
- Boiling Point: 209.759°C at 760 mmHg
- Flash Point: 84.469°C
- Refractive Index: 1.427
2-Hydroxyisopropyl propionate Related Literature
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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