Cas no 3711-13-5 (1,3-Propanediol,2,2-dimethyl-, 1,3-dipropanoate)
3711-13-5 structure
Product Name:1,3-Propanediol,2,2-dimethyl-, 1,3-dipropanoate
1,3-Propanediol,2,2-dimethyl-, 1,3-dipropanoate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2,2-dimethyl-, 1,3-dipropanoate
- (2,2-dimethyl-3-propanoyloxypropyl) propanoate
- 1,3-Propanediol, 2,2-dimethyl-, dipropanoate
- 2,2-Dimethyl-1,3-dipropionoxypropane
- 2,2-dimethylpropane-1,3-diyl dipropanoate
- 2,2-Dimethylpropane-1,3-diyl dipropionate
- DTXSID80884007
- 1,3-Propanediol, 2,2-dimethyl-, 1,3-dipropanoate
- NS00047325
- SCHEMBL14472846
- 3711-13-5
- EINECS 223-057-5
- neopentyl glycol dipropionate
-
- Inchi: 1S/C11H20O4/c1-5-9(12)14-7-11(3,4)8-15-10(13)6-2/h5-8H2,1-4H3
- InChI Key: XVNRPMYATPUZQL-UHFFFAOYSA-N
- SMILES: O(C(CC)=O)CC(C)(C)COC(CC)=O
Computed Properties
- Exact Mass: 216.1362
- Monoisotopic Mass: 216.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 199
- 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: 52.6A^2
- XLogP3: 2.1
Experimental Properties
- Density: 0.996
- Boiling Point: 274°Cat760mmHg
- Flash Point: 125.7°C
- Refractive Index: 1.433
- PSA: 52.6
1,3-Propanediol,2,2-dimethyl-, 1,3-dipropanoate Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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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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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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