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27113-22-0

Basic Information
CAS No.: 27113-22-0
Name: 1-(4-hydroxy-3-methoxyphenyl)decan-5-one
Article Data: 15
Molecular Structure:
Molecular Structure of 27113-22-0 (1-(4-hydroxy-3-methoxyphenyl)decan-5-one)
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
Boiling Point: 406.4 °C at 760 mmHg
Flash Point: 140 °C
PSA: 46.53000
LogP: 4.26300
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    6-paradol CAS: 27113-22-0 Molecular Formula: C17H26O3 Home Product Category Biomedicine Drug substance 27113-22-0 27113-22-0 - Names and Identifiers Name 6-paradol Synonyms PARADOL 5-Paradol 6-paradol 1-(4

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    Product name: 6-Paradol CAS No.:27113-22-0 Molecule Formula:C17H26O3 Molecule Weight:278.39 Purity: 95.0% Package: 25kg/drum Description:White powder Manufacture Standards:Enterprise Standard TESTING ITEMS

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  • 27113-22-0  CAS NO.27113-22-0

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    27113-22-0

    27113-22-0 CAS NO.27113-22-0

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  • 1-(4-hydroxy-3-methoxyphenyl)decan-5-one China manufacture

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    27113-22-0

    1-(4-hydroxy-3-methoxyphenyl)decan-5-one China manufacture

    Min.Order: 100 Gram

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    English name: Paradol, 6-Paradol CAS:27113-22-0 Molecular formula: C17H26O3 Molecular weight: 278.39 Content: 99% Appearance: brown liquid Slightly soluble in water, easily soluble in alcohols and lipids Appearance:brown liquid Storage:Sealed i

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  • 6-paradol

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    27113-22-0

    6-paradol

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  • Factory direct sales 6-paradol CAS 27113-22-0

  • Casno:

    27113-22-0

    Factory direct sales 6-paradol CAS 27113-22-0

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  • 1-(4-hydroxy-3-methoxyphenyl)decan-5-one

  • Casno:

    27113-22-0

    1-(4-hydroxy-3-methoxyphenyl)decan-5-one

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    FOB Price:  USD $ 0.0-0.0

    Lower price, sample is available,SDS test documents are available,large stock in warehouseAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:Fine chemical intermediates, used as the main raw material for the synthe

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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,