111309
1-苯基-1-丙醇
≥97%
别名:
α-苯丙醇, (±)-1-苯丙醇
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关于此项目
线性分子式:
C2H5CH(C6H5)OH
化学文摘社编号:
分子量:
136.19
Beilstein:
1906759
EC 号:
MDL编号:
UNSPSC代码:
12352100
eCl@ss:
39023126
PubChem化学物质编号:
NACRES:
NA.22
方案
≥97%
折射率
n20/D 1.52 (lit.)
沸点
103 °C/14 mmHg (lit.)
密度
0.994 g/mL at 25 °C (lit.)
官能团
hydroxyl
phenyl
SMILES字符串
CCC(O)c1ccccc1
InChI
1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
InChI key
DYUQAZSOFZSPHD-UHFFFAOYSA-N
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一般描述
1-苯基-1-丙醇对映体（E-PP）形成环十肽（CDP）包合物，已利用密度泛函理论（DFT）B3LYP方法对其进行研究。它还用于确定质量转移动力学对Chiracel OB（包被在硅胶上的三苯甲酸纤维素）上1-苯基-1-丙醇（PP）对映体的洗脱曲线的影响。
警示用语：
Warning
危险声明
危险分类
Acute Tox. 4 Oral
储存分类代码
10 - Combustible liquids
WGK
WGK 3
闪点(°F)
194.0 °F - closed cup
闪点(°C)
90 °C - closed cup
个人防护装备
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
此项目有
Hongge Zhao et al.
Journal of molecular modeling, 18(3), 851-858 (2011-06-01)
Cyclic peptides are exciting novel hosts for chiral and molecular recognition. In this work, the inclusion complexes of cyclic decapeptide (CDP) with the 1-phenyl-1-propanol enantiomers (E-PP) are firstly studied using the density functional theory (DFT) B3LYP method. Our calculated results
Arvind Rajendran et al.
Journal of chromatography. A, 1076(1-2), 183-188 (2005-06-25)
The supercritical fluid chromatography (SFC) separation of the enantiomers of 1-phenyl-1-propanol on the chiral stationary phase Chiralcel OD under linear conditions is studied. Supercritical CO2 modified with methanol is used as a mobile phase. The effect of modifier concentration, pressure
S Khattabi et al.
Journal of chromatography. A, 893(2), 307-319 (2000-11-10)
Approximately optimum operating conditions needed to separate 1-phenyl-1-propanol (PP) enantiomers by simulated moving bed (SMB) were determined using the "safety margin" approach in the linear case and the "triangle theory" in the nonlinear case. Previous results showed the adsorption isotherm
Anna M Costa et al.
Journal of the American Chemical Society, 124(24), 6929-6941 (2002-06-13)
The optimization of asymmetric catalysts for enantioselective synthesis has conventionally revolved around the synthesis and screening of enantiopure ligands. In contrast, we have optimized an asymmetric reaction by modification of a series of achiral ligands. Thus, employing (S)-3,3'-diphenyl BINOL [(S)-Ph(2)-BINOL]
Alberto Cavazzini et al.
Journal of chromatography. A, 953(1-2), 55-66 (2002-06-13)
Using competitive frontal analysis, the binary adsorption isotherms of the enantiomers of 1-phenyl-l-propanol were measured on a microbore column packed with a chiral stationary phase based on cellulose tribenzoate. These measurements were carried out using only the racemic mixture. The
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