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| CAS No.: | 20283-92-5 |
|---|---|
| Name: | Rosmarinic acid |
| Molecular Structure: | |
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| Formula: | C18H16O8 |
| Molecular Weight: | 360.32 |
| Synonyms: | Benzenepropanoicacid, a-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-,(aR)-;Benzenepropanoicacid, a-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-,(aR)- (9CI);Benzenepropanoic acid, a-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-,[R-(E)]-;Cinnamic acid, 3,4-dihydroxy-, 2-ester with3-(3,4-dihydroxyphenyl)lactic acid;Rosmarinic acid (6CI,7CI);MamorekkuRUH 2;RM 21A;trans-Rosmarinic acid; |
| EINECS: | 606-487-1 |
| Density: | 1.547 g/cm3 |
| Melting Point: | 171-175 °C(lit.) |
| Boiling Point: | 694.7 °C at 760 mmHg |
| Flash Point: | 254.5 °C |
| Appearance: | Brown fine powder |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 144.52000 |
| LogP: | 1.76130 |
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Chemistry
IUPAC Name: (2R)-3-(3,4-Dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
CAS: 20283-92-5
Molecular Formula: C18H16O8
Molecular Weight: 360.31
Molecular structure:
H bond acceptors: 8
H bond donors: 5
Freely Rotating Bonds: 11
Index of Refraction: 1.713
Molar Refractivity: 91.35 cm3
Molar Volume: 232.8 cm3
Polarizability: 36.21 10-24cm3
Surface Tension: 84.3 dyne/cm
Density: 1.547 g/cm3
Flash Point: 254.5 °C
Enthalpy of Vaporization: 106.87 kJ/mol
Boiling Point: 694.7 °C at 760 mmHg
Vapour Pressure: 2.92E-20 mmHg at 25°C
Melting point: 171-175 °C(lit.)
Uses
1. Rosmarinic acid (CAS No.20283-92-5) is usually used as anti-oxidant agent for water-soluble components.
2. Rosmarinic acid is also commonly known to undergo metabolism in humans and rats which methylated rosmarinic acid, coumaric acid, ferulic acid and caffeic acid.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 561mg/kg (561mg/kg) | Drugs of the Future. Vol. 10, Pg. 756, 1985. |
Safety Profile
WGK Germany: 3
F: 10-23
RTECS: GD8990000
Specification
Rosmarinic acid ,its CAS register number is 20283-92-5, it's called for 4aR-(4aa,9b,10a,10ab)]-1,3,4,9,10,10a-Hexahydro-5,6,9-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-2H-10,4a-(epoxymethano)phenanthren-12-one ; (4aR,10aα)-1,3,4,9,10,10a-Hexahydro-5,6,9α-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-2H-10β,4aβ-(epoxymethano)phenanthren-12-one ; 20-Deoxocarnosol ; 6β,7α,11,12-Tetrahydroxyabieta-8,11,13-trien-20-oic acid 20,6-lactone ; EGxp0_000163 ; ACon1_001068 ; CHEBI:50371 ; AIDS026336 ; MLS000697677 ,and so on. Rosmarinic acid is a red-orange powder,and it is slightly soluble in water.
Removal in wastewater treatment of Rosmarinic acid (CAS No.20283-92-5) can be stated as follows:
Total removal: 2.11 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.02 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)