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20283-92-5

Basic Information
CAS No.: 20283-92-5
Name: Rosmarinic acid
Article Data: 4
Cas Database
Molecular Structure:
Molecular Structure of 20283-92-5 (Rosmarinic acid)
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
Solubility: N/A
Appearance: Brown fine powder
Hazard Symbols: T
Risk Codes: 25
Safety: 45
Transport Information: N/A
PSA: 144.52000
LogP: 1.76130
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  • Rosmarinic Acid 98% 40% 25% 10% 5% CAS: 20283-92-5

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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)