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
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
39023126
UNSPSC Code:
12352100
EC Number:
202-256-0
MDL number:
Beilstein/REAXYS Number:
1906759
产品名称
1-苯基-1-丙醇, ≥97%
InChI key
DYUQAZSOFZSPHD-UHFFFAOYSA-N
InChI
1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
SMILES string
CCC(O)c1ccccc1
assay
≥97%
refractive index
n20/D 1.52 (lit.)
bp
103 °C/14 mmHg (lit.)
density
0.994 g/mL at 25 °C (lit.)
functional group
hydroxyl
phenyl
Quality Level
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General description
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。
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
194.0 °F - closed cup
flash_point_c
90 °C - closed cup
ppe
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
Stefan Ottiger et al.
Journal of chromatography. A, 1162(1), 74-82 (2007-02-17)
The separation of the enantiomers of 1-phenyl-1-propanol by supercritical fluid chromatography on a chiral stationary phase, which consists of cellulose tris (3,5-dimethylphenylcarbamate) coated on a silica support (Chiralcel-OD), is studied under overloaded, non-linear chromatographic conditions. Pulse experiments are performed at
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
S Khattabi et al.
Journal of chromatography. A, 877(1-2), 95-107 (2000-06-14)
Using single-step frontal analysis, we measured single-component and competitive adsorption isotherm data for the two enantiomers of 1-phenyl-1-propanol (PP). These experimental data were fitted to several competitive bi-Langmuir models (with 8, 6, 5 and 4 parameters) and to the competitive
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
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