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    Natural Products
    1-Phenyl-2-propanol
    1-Phenyl-2-propanol
    Information
    CAS No. 14898-87-4 Price $50 / 20mg
    Catalog No.CFN95129Purity>=98%
    Molecular Weight136.2Type of CompoundPhenols
    FormulaC9H12OPhysical DescriptionOil
    Download     COA    MSDSSimilar structuralComparison
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    Description: Reference standards.
    1-Phenyl-2-propanol Description
    Source: The fruits of Hippophae rhamnoides
    Solvent: Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.
    Storage: Providing storage is as stated on the product vial and the vial is kept tightly sealed, the product can be stored for up to 24 months(2-8C).

    Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20C. Generally, these will be useable for up to two weeks. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour.

    Need more advice on solubility, usage and handling? Please email to: service@chemfaces.com

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    Cell. 2018 Jan 11;172(1-2):249-261.e12.
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    IF=36.216(2019)

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    Nature Plants. 2016 Dec 22;3: 16206.
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    PMID: 28005066

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    Calculate Dilution Ratios(Only for Reference)
    1 mg 5 mg 10 mg 20 mg 25 mg
    1 mM 7.3421 mL 36.7107 mL 73.4214 mL 146.8429 mL 183.5536 mL
    5 mM 1.4684 mL 7.3421 mL 14.6843 mL 29.3686 mL 36.7107 mL
    10 mM 0.7342 mL 3.6711 mL 7.3421 mL 14.6843 mL 18.3554 mL
    50 mM 0.1468 mL 0.7342 mL 1.4684 mL 2.9369 mL 3.6711 mL
    100 mM 0.0734 mL 0.3671 mL 0.7342 mL 1.4684 mL 1.8355 mL
    * Note: If you are in the process of experiment, it's need to make the dilution ratios of the samples. The dilution data of the sheet for your reference. Normally, it's can get a better solubility within lower of Concentrations.
    Protocol
    Structure Identification:
    J Phys Chem A. 2006 Dec 14;110(49):13188-94.
    Rotational spectra and conformational structures of 1-phenyl-2-propanol, methamphetamine, and 1-phenyl-2-propanone.[Pubmed: 17149832 ]

    METHODS AND RESULTS:
    Microwave spectra have been recorded for 1-Phenyl-2-propanol, methamphetamine, and 1-phenyl-2-propanone from 11 to 24 GHz using a Fourier-transform microwave spectrometer. Only one spectrum from a single conformational isomer was observed for each species. The rotational transitions in the spectrum of 1-phenyl-2-propanone were split into separate transitions arising from the A- and E-torsional levels of the methyl rotor. The fit of the E-state transitions to a "high-barrier" internal rotation Hamiltonian determines V3 = 238(1) cm-1 and rotor-axis angles of thetaa = 87.7(5) degrees, thetab = 50.0(5) degrees, and thetac = 40.0(5) degrees. Ab initio optimizations (MP2/6-31G**) and single-point calculations (MP2/6-311++G**) were used to model the structures of 1-Phenyl-2-propanol, methamphetamine, and 1-phenyl-2-propanone. The lowest energy conformations of these species were found to be stabilized by weak OH-pi, NH-pi, and CH-pi hydrogen-bonding interactions.
    CONCLUSIONS:
    Moments of inertia, derived from the model structures, were used to assign the spectra to the lowest energy conformation of each species. A series of MP2/6-31G* partial optimizations along the internal rotation pathway were used to estimate the barrier to methyl rotation to be 355 cm-1 for 1-phenyl-2-propanone.