Cas no 136416-32-5 (Benzoic acid, 3-(3-hydroxypropyl)-, propyl ester)
136416-32-5 structure
Product Name:Benzoic acid, 3-(3-hydroxypropyl)-, propyl ester
CAS No:136416-32-5
MF:C13H18O3
MW:222.280224323273
CID:1240643
Update Time:2024-08-04
Benzoic acid, 3-(3-hydroxypropyl)-, propyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-(3-hydroxypropyl)-, propyl ester
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- Inchi： 1S/C13H18O3/c1-2-9-16-13(15)12-7-3-5-11(10-12)6-4-8-14/h3,5,7,10,14H,2,4,6,8-9H2,1H3
- InChI Key： UJFFQLNRVMYVDI-UHFFFAOYSA-N
- SMILES： C(OCCC)(=O)C1=CC=CC(CCCO)=C1
Computed Properties
- Exact Mass: 222.12564
Experimental Properties
- Density: 1.072±0.06 g/cm3(Predicted)
- Boiling Point: 355.5±25.0 °C(Predicted)
- PSA: 46.53
- pka: 15.02±0.10(Predicted)
Benzoic acid, 3-(3-hydroxypropyl)-, propyl ester Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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