Cas no 142381-76-8 (1,3-Propanediol,2-(hydroxymethyl)-2-methyl-, hydrate (1:4))
142381-76-8 structure
Product Name:1,3-Propanediol,2-(hydroxymethyl)-2-methyl-, hydrate (1:4)
CAS No:142381-76-8
MF:C5H20O7
MW:192.208103179932
CID:187940
PubChem ID:145641
Update Time:2025-04-19
1,3-Propanediol,2-(hydroxymethyl)-2-methyl-, hydrate (1:4) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-(hydroxymethyl)-2-methyl-, hydrate (1:4)
- 2-Hydroxymethyl-2-methyl-1,3-propanediol tetrahydrate
- 2-(hydroxymethyl)-2-methylpropane-1,3-diol,tetrahydrate
- 2-(hydroxymethyl)-2-methyl-propane-1,3-diol tetrahydrate
- DTXSID50162026
- 2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrahydrate
- 142381-76-8
-
- Inchi： 1S/C5H12O3.4H2O/c1-5(2-6,3-7)4-8;;;;/h6-8H,2-4H2,1H3;4*1H2
- InChI Key： LEHRMCOOEVWCNU-UHFFFAOYSA-N
- SMILES： OCC(C)(CO)CO.O.O.O.O
Computed Properties
- Exact Mass: 192.1209
- Monoisotopic Mass: 192.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 50.4
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 64.7?2
Experimental Properties
- Boiling Point: 286.7°Cat760mmHg
- Flash Point: 145.5°C
- PSA: 186.69
1,3-Propanediol,2-(hydroxymethyl)-2-methyl-, hydrate (1:4) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
142381-76-8 (1,3-Propanediol,2-(hydroxymethyl)-2-methyl-, hydrate (1:4)) Related Products
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