CAS No.23513-08-8,8-GINGEROL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	23513-08-8
Name:	8-GINGEROL
Article Data:	6

Formula:	C₁₉H₃₀O₄
Molecular Weight:	322.445
Synonyms:	3-Dodecanone,5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-;3-Dodecanone,5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-(+)- (8CI);(S)-(+)-[8]-Gingerol;[8]-Gingerol;
Density:	1.058 g/cm³
Melting Point:	30 - 32 °C
Boiling Point:	476.4 °C at 760 mmHg
Flash Point:	162.6 °C
Solubility:	Slightly soluble in water
Appearance:	Oily solid
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	36/37
PSA:	66.76000
LogP:	4.01400

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Specification

The 3-Dodecanone,5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-, with the CAS registry number 23513-08-8, is also known as (S)-(+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone. It belongs to the product category of Miscellaneous Natural Products. This chemical's molecular formula is C₁₉H₃₀O₄ and molecular weight is 322.4391. Its IUPAC name is called (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of 3-Dodecanone,5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)-: (1)ACD/LogP: 3.55; (2)ACD/LogD (pH 5.5): 3.55; (3)ACD/LogD (pH 7.4): 3.55; (4)ACD/BCF (pH 5.5): 292.58; (5)ACD/BCF (pH 7.4): 291.52; (6)ACD/KOC (pH 5.5): 2027.39; (7)ACD/KOC (pH 7.4): 2020.08; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 14; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 92.21 cm³; (13)Molar Volume: 304.7 cm³; (14)Surface Tension: 41.3 dyne/cm; (15)Density: 1.058 g/cm³; (16)Flash Point: 162.6 °C; (17)Enthalpy of Vaporization: 77.97 kJ/mol; (18)Boiling Point: 476.4 °C at 760 mmHg; (19)Vapour Pressure: 6.94E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
(2)Isomeric SMILES: CCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
(3)InChI: InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
(4)InChIKey: BCIWKKMTBRYQJU-INIZCTEOSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 100mg/kg (100mg/kg)		Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 25, Pg. 231, 1990.