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Watermelon Ketone

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Name

Watermelon Ketone

EINECS 249-320-4
CAS No. 28940-11-6 Density 1.196 g/cm3
Solubility Melting Point
Formula C10H10O3 Boiling Point 305.2 °C at 760 mmHg
Molecular Weight 178.18 Flash Point 129.3 °C
Transport Information Appearance white crystalline powder
Safety Risk Codes
Molecular Structure Molecular Structure of 28940-11-6 (Watermelon Ketone) Hazard Symbols
Synonyms

7-Methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-one;2H-1,5-benzodioxepin-3(4H)-one, 7-methyl-;7-Methyl-2H-1,5-benzodioxepin-3(4H)-one;

 

Watermelon Ketone Chemical Properties

1.Introduction of Watermelon Ketone

Watermelon Ketone,with the CAS NO 28940-11-6, is a kind of white powder or crystal.It have Synonyms of 7-Methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-one;2H-1,5-benzodioxepin-3(4H)-one, 7-methyl- and 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one. Watermelon Ketone can be used as flavor ,fragrance and perfume.

2.Properties of Watermelon Ketone

(1) ACD/LogP: 2.747 (2)ACD/LogD (pH 5.5): 2.75 (3) ACD/LogD (pH 7.4): 2.75
(4)ACD/BCF (pH 5.5): 72.11 (5)ACD/BCF (pH 7.4): 72.11 (6)ACD/KOC (pH 5.5): 744.00 (7)ACD/KOC (pH 7.4): 744.00 (8)#H bond acceptors: 3 (9) Polar Surface Area: 35.53 ?2
(10)Index of Refraction: 1.538 (11)Molar Refractivity: 46.593 cm3
(12) Molar Volume: 148.86 cm3 (13)Polarizability: 18.471 10-24cm3
(14)Surface Tension: 40.9850006103516 dyne/cm (15)Density: 1.197 g/cm3
(16) Flash Point: 129.323 °C (17) Enthalpy of Vaporization: 54.568 kJ/mol
(18) Boiling Point: 305.248 °C at 760 mmHg (19)Vapour Pressure: 0.00100000004749745 mmHg at 25°C


3.Structure descriptor of Watermelon Ketone


SMILES:
O=C1COc2c(OC1)cc(cc2)CCopied
Std. InChI:
InChI=1S/C10H10O3/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4H,5-6H2,1H3Copied
Std. InChIKey:
SWUIQEBPZIHZQS-UHFFFAOYSA-N

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