Cas no 60405-64-3 (2-Butene-1,4-diol, monobenzoate)
60405-64-3 structure
Product Name:2-Butene-1,4-diol, monobenzoate
CAS No:60405-64-3
MF:C11H12O3
MW:192.211183547974
CID:1620307
Update Time:2024-09-13
2-Butene-1,4-diol, monobenzoate Chemical and Physical Properties
Names and Identifiers
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- 2-Butene-1,4-diol, monobenzoate
- 2-Butene-1,4-diol, 1-benzoate
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- Inchi： 1S/C11H12O3/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-7,12H,8-9H2
- InChI Key： OHEOYILVQDDJIW-UHFFFAOYSA-N
- SMILES： C(OC(=O)C1=CC=CC=C1)C=CCO
Computed Properties
- Exact Mass: 210.08922
Experimental Properties
- Density: 1.144±0.06 g/cm3(Predicted)
- Boiling Point: 329.5±30.0 °C(Predicted)
- PSA: 77.76
- pka: 14.29±0.10(Predicted)
2-Butene-1,4-diol, monobenzoate Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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