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27113-22-0

Basic Information
CAS No.: 27113-22-0
Name: 6-Paradol
Article Data: 15
Cas Database
Molecular Structure:
Molecular Structure of 27113-22-0 (6-Paradol)
Formula: C17H26O3
Molecular Weight: 278.392
Synonyms: Heptyl4-hydroxy-3-methoxyphenethyl ketone;Paradol;[6]-Gingerone;[6]-Paradol;3-Decanone,1-(4-hydroxy-3-methoxyphenyl)-;
EINECS: 248-228-1
Density: 1.016 g/cm3
Melting Point: N/A
Boiling Point: 406.4 °C at 760 mmHg
Flash Point: 140 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 46.53000
LogP: 4.26300
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  • 1-(4-hydroxy-3-methoxyphenyl)decan-5-one 	27113-22-0

  • Casno:

    27113-22-0

    MSDS/COA Download

    1-(4-hydroxy-3-methoxyphenyl)decan-5-one 27113-22-0

    Min.Order: 1 Kilogram

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    Product Name: 1-(4-hydroxy-3-methoxyphenyl)decan-5-one Synonyms: 6-Paradol 98%;1-(4-hydroxy-3-methoxyphenyl)decan-5-one;3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-;6-paradol;PARADOL;1-(3-Methoxy-4-hydroxyphenyl)-3-decanone;1-(4-

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  • Paradol

  • Casno:

    27113-22-0

    Paradol

    Min.Order: 1 Gram

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  • 6-Paradol

  • Casno:

    27113-22-0

    6-Paradol

    Min.Order: 1 Gram

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  • Casno:

    27113-22-0

    Paradolwith factory price

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  • High Purity 27113-22-0 98% 6-Paradol

  • Casno:

    27113-22-0

    High Purity 27113-22-0 98% 6-Paradol

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  • Paradol 27113-22-0

  • Casno:

    27113-22-0

    Paradol 27113-22-0

    Min.Order: 1 Gram

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Specification

The 6-Paradol, with the CAS registry number 27113-22-0, is also known as 3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-. Its EINECS registry number is 248-228-1. This chemical's molecular formula is C17H26O3 and molecular weight is 278.38654. What's more, its IUPAC name is 1-(4-Hydroxy-3-methoxyphenyl)decan-3-one. This chemical's classification code is Drug / Therapeutic Agent. In addition, 6-Paradol is the active flavor constituent of the seeds of Guinea pepper (Aframomum melegueta). And the seed is also known as Grains of paradise. Besides, this chemical has been found to have antioxidative and antitumor promoting effects. And it is used in flavors as an essential oil to give spiciness.

Physical properties about 6-Paradol are: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 477.52; (6)ACD/BCF (pH 7.4): 476.4; (7)ACD/KOC (pH 5.5): 2878.87; (8)ACD/KOC (pH 7.4): 2872.13; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 81.45 cm3; (15)Molar Volume: 273.8 cm3; (16)Polarizability: 32.29×10-24 cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.016 g/cm3; (19)Flash Point: 140 °C; (20)Enthalpy of Vaporization: 68.38 kJ/mol; (21)Boiling Point: 406.4 °C at 760 mmHg; (22)Vapour Pressure: 3.46E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CCCCCCC)CCc1cc(OC)c(O)cc1
(2) InChI: InChI=1/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3
(3) InChIKey: CZNLTCTYLMYLHL-UHFFFAOYAE

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 270mg/kg (270mg/kg)   Journal of Toxicological Sciences. Vol. 16(Suppl,

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