Cas no 13051-29-1 (1,3-Propanediol,2,2-bis(hydroxymethyl)-, 1-acetate)
13051-29-1 structure
Product Name:1,3-Propanediol,2,2-bis(hydroxymethyl)-, 1-acetate
CAS No:13051-29-1
MF:C7H14O5
MW:178.183063030243
CID:210570
PubChem ID:295454
Update Time:2025-04-19
1,3-Propanediol,2,2-bis(hydroxymethyl)-, 1-acetate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2,2-bis(hydroxymethyl)-, 1-acetate
- [3-hydroxy-2,2-bis(hydroxymethyl)propyl] acetate
- 2-Acetoxymethyl-2-hydroxymethyl-propan-1,3-diol
- 2-acetoxymethyl-2-hydroxymethyl-propane-1,3-diol
- 3-hydroxy-2,2-bis(hydroxymethyl)propyl acetate
- AC1L6O7A
- monoacetyl pentaerythritol
- NSC164617
- Pentaerithrit-monoacetat
- Pentaerythritmonoacetat
- pentaerythritol monoacetate
- Pentaerythritolmonoacetat
- SCHEMBL725624
- NSC-164617
- 13051-29-1
- OORDEDRRTSWSRC-UHFFFAOYSA-N
- DTXSID40304216
- AKOS024337405
-
- Inchi： 1S/C7H14O5/c1-6(11)12-5-7(2-8,3-9)4-10/h8-10H,2-5H2,1H3
- InChI Key： OORDEDRRTSWSRC-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC(CO)(CO)CO
Computed Properties
- Exact Mass: 178.08412
- Monoisotopic Mass: 178.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 133
- 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: -1.8
- Topological Polar Surface Area: 87?2
Experimental Properties
- Density: 1.271
- Boiling Point: 308.2°Cat760mmHg
- Flash Point: 123°C
- Refractive Index: 1.494
- PSA: 86.99
- LogP: -1.48720
1,3-Propanediol,2,2-bis(hydroxymethyl)-, 1-acetate Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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