Cas no 585564-38-1 (1,3-Butanediol, 2-methyl-1-phenyl-)
585564-38-1 structure
Product Name:1,3-Butanediol, 2-methyl-1-phenyl-
CAS No:585564-38-1
MF:C11H16O2
MW:180.243543624878
CID:1611076
Update Time:2024-09-11
1,3-Butanediol, 2-methyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Butanediol, 2-methyl-1-phenyl-
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- Inchi： 1S/C11H16O2/c1-8(9(2)12)11(13)10-6-4-3-5-7-10/h3-9,11-13H,1-2H3
- InChI Key： QHXAOJQLZHLLON-UHFFFAOYSA-N
- SMILES： C(C1=CC=CC=C1)(O)C(C)C(O)C
Computed Properties
- Exact Mass: 180.11508
Experimental Properties
- Density: 1.051 g/cm3(Temp: 25 °C)
- Boiling Point: 180-183 °C(Press: 16 Torr)
- PSA: 40.46
- pka: 14.14±0.20(Predicted)
1,3-Butanediol, 2-methyl-1-phenyl- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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