Cas no 4055-08-7 (Propanoic acid, 2-(acetyloxy)-,1-methylethyl ester)
4055-08-7 structure
Product Name:Propanoic acid, 2-(acetyloxy)-,1-methylethyl ester
Propanoic acid, 2-(acetyloxy)-,1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-(acetyloxy)-,1-methylethyl ester
- 2-Acetoxy-propionsaeure-isopropylester;Isopropyl-lactat-acetat;O-Acetyl-milchsaeure-isopropylester;O-acetyl-lactic acid isopropyl ester;isopropyl 2-acetoxypropanoate;
- DTXSID80278482
- SCHEMBL7065474
- NSC7715
- 4055-08-7
- NSC-7715
- propan-2-yl 2-(acetyloxy)propanoate
-
- Inchi： 1S/C8H14O4/c1-5(2)11-8(10)6(3)12-7(4)9/h5-6H,1-4H3
- InChI Key： IJENPVBWSAGDGM-UHFFFAOYSA-N
- SMILES： O(C(C(C)OC(C)=O)=O)C(C)C
Computed Properties
- Exact Mass: 174.08900
- Monoisotopic Mass: 174.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 174
- 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
- XLogP3: 1.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.034
- Boiling Point: 208.5°Cat760mmHg
- Flash Point: 93.3°C
- Refractive Index: 1.419
- PSA: 52.60000
- LogP: 0.88960
Propanoic acid, 2-(acetyloxy)-,1-methylethyl ester Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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