Ginkgoneolic acid supplier | CasNO.20261-38-5

Name
Ginkgolic acid (13:0)
EINECS
CAS No. 20261-38-5
Article Data4
CAS DataBase
Density 1.018 g/cm³
Solubility
Melting Point
Formula C₂₀H₃₂O₃
Boiling Point 449.488 °C at 760 mmHg
Molecular Weight 320.472
Flash Point 239.771 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Hydroxy-6-tridecylbenzoic acid;Benzoic acid, 2-hydroxy-6-tridecyl-;6-Tridecylsalicylic acid;Salicylic acid, 6-tridecyl- (8CI);6-n-Tridecylsalicylic acid;
PSA 57.53000
LogP 5.94390

Ginkgoneolic acid Specification

The Ginkgoneolic acid, with the CAS registry number 20261-38-5, is also known as 6-Tridecylsalicylic acid. This chemical's molecular formula is C₂₀H₃₂O₃ and molecular weight is 320.47. What's more, its systematic name is 2-Hydroxy-6-tridecylbenzoic acid. Its classification code is Natural Product.

Physical properties of Ginkgoneolic acid are: (1)ACD/LogP: 8.659; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.74; (4)ACD/LogD (pH 7.4): 5.51; (5)ACD/BCF (pH 5.5): 2710.50; (6)ACD/BCF (pH 7.4): 1603.13; (7)ACD/KOC (pH 5.5): 1477.82; (8)ACD/KOC (pH 7.4): 874.06; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 57.53 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 95.575 cm³; (15)Molar Volume: 314.784 cm³; (16)Polarizability: 37.889×10^-24cm³; (17)Surface Tension: 41.4339981079102 dyne/cm; (18)Density: 1.018 g/cm³; (19)Flash Point: 239.771 °C; (20)Enthalpy of Vaporization: 74.631 kJ/mol; (21)Boiling Point: 449.488 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-hydroxy-6-tridecyl-benzoic acid methyl ester by heating. This reaction will need reagent 2 M KOH and solvent ethanol. The yield is about 96%.

Ginkgoneolic acid can be prepared by 2-hydroxy-6-tridecyl-benzoic acid methyl ester by heating

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cccc1O)CCCCCCCCCCCCC
(2)Std. InChI: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)
(3)Std. InChIKey: VEPUCZUJLKAVNM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 481mg/kg (481mg/kg)		Agents and Actions, A Swiss Journal of Pharmacology. Vol. 10, Pg. 361, 1980.

Product Name

Ginkgolic acid (13:0)

Ginkgoneolic acid Specification

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