Cas no 56519-66-5 (1,3-Propanediol,1,3-dipropanoate)
56519-66-5 structure
Product Name:1,3-Propanediol,1,3-dipropanoate
CAS No:56519-66-5
MF:C9H16O4
MW:188.220943450928
CID:385091
PubChem ID:249196
Update Time:2025-04-19
1,3-Propanediol,1,3-dipropanoate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,1,3-dipropanoate
- 3-propanoyloxypropyl propanoate
- 1,3-bis-propionyloxy-propane
- 1,3-Propandioldipropionat
- AC1L6NXW
- AC1Q67N1
- AR-1L2162
- CTK5A5267
- NSC67257
- propane-1,3-diyl dipropanoate
- Trimethylendipropionat
- SCHEMBL2600809
- 1,3-propanediol dipropionate
- NSC-67257
- 56519-66-5
- DTXSID20290183
-
- Inchi： 1S/C9H16O4/c1-3-8(10)12-6-5-7-13-9(11)4-2/h3-7H2,1-2H3
- InChI Key： UMRLNZREIFILSG-UHFFFAOYSA-N
- SMILES： O(C(CC)=O)CCCOC(CC)=O
Computed Properties
- Exact Mass: 188.10488
- Monoisotopic Mass: 188.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 147
- 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
- XLogP3: 1.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.022
- Boiling Point: 248.8°Cat760mmHg
- Flash Point: 115.6°C
- Refractive Index: 1.427
- PSA: 52.6
- LogP: 1.28290
1,3-Propanediol,1,3-dipropanoate Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
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
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
56519-66-5 (1,3-Propanediol,1,3-dipropanoate) Related Products
- 35438-57-4(1,5-Dioxepan-2-one)
- 88917-22-0(Dipropyleneglycol methyl ether acetate)
- 623-72-3(Ethyl 3-hydroxypropanoate)
- 106-36-5(n-Propyl propionate)
- 105-53-3(1,3-diethyl propanedioate)
- 1071-46-1(3-ethoxy-3-oxo-propanoic acid)
- 10606-42-5(Ethyl 3-methoxypropionate)
- 1117-19-7(Dipropyl malonate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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