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104594-70-9

Basic Information
CAS No.: 104594-70-9
Name: Phenethyl caffeate
Article Data: 22
Molecular Structure:
Molecular Structure of 104594-70-9 (Phenethyl caffeate)
Formula: C17H16O4
Molecular Weight: 284.312
Synonyms: 2-Phenylethylcaffeate;2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester;2-Phenylethyl 3-(3,4-dihydroxyphenyl)-2-propenoate;
EINECS: 627-151-0
Density: 1.266 g/cm3
Melting Point: 127-129℃
Boiling Point: 498.6 °C at 760 mmHg
Flash Point: 185.1 °C
Appearance: Colorless transparent liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 66.76000
LogP: 2.89690
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    104594-70-9

    Phenethyl caffeate

    Min.Order: 10 Milligram

    FOB Price:  USD $ 0.0-0.0

    Hubei CuiRan Biotechnology Co., Ltd is a leading company in the research, development, manufacture and marketing of High Quality Phytochemicals and Extracts(especially Active Ingredients from Traditional Chinese Medicine,Traditional Chinese Medicine)

    Hubei CuiRan Biotechnology Co., Ltd. is a high-tech enterprise that integrates research and development, production, and sales. It mainly engages in the production, customization,

  •  Hubei CuiRan Biotechnology Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:18162791556

    Address:Room 301, 3rd Floor, R&D Building, Private Science and Technology Park, Checheng South Road, Wuhan Economic and Technological Development Zone, Hubei Province

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  • Phenethyl caffeate

  • Casno:

    104594-70-9

    Phenethyl caffeate

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

  •  Shandong Mopai Biotechnology Co., LTD

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-15965530500

    Address:shandong

       Inquiry Now

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Specification

The CAS registry number of Caffeic acid phenethyl ester is 104594-70-9. The systematic name is 2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate. In addition, the molecular formula is C17H16O4 and the molecular weight is 284.31. What's more, it is a kind of off-white solid and belongs to the classes of Miscellaneous Natural Products; Inhibitors; Tyrosine Kinase Inhibitors; Cytokine signaling; HIV/AIDS/Related Products; Apoptosis Inducers. And it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 218.39; (6)ACD/BCF (pH 7.4): 214.43; (7)ACD/KOC (pH 5.5): 1644.38; (8)ACD/KOC (pH 7.4): 1614.58; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 81.43 cm3; (15)Molar Volume: 224.4 cm3; (16)Polarizability: 32.28 ×10-24cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 185.1 °C; (20)Enthalpy of Vaporization: 79.59 kJ/mol; (21)Boiling Point: 498.6 °C at 760 mmHg; (22)Vapour Pressure: 1.45E-10 mmHg at 25°C.

Uses of Caffeic acid phenethyl ester: it can be used for cytotoxic agent against cancer cell lines ,inhibitor of ornithine decarboxylase and protein tyrosine kinase. It has been found to be a specific inhibitor of the nuclear transcription factor, NF-kB, and also has been shown to significantly suppress the lipoxyg.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCc1ccccc1)C=Cc2cc(O)c(O)cc2
(2)InChI: InChI=1/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2
(3)InChIKey: SWUARLUWKZWEBQ-UHFFFAOYAV

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