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11121-48-5

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11121-48-5 Usage

Chemical Properties

Rose grows as a plant, shrub, bush or thicket. The flowers exhibit a five-petal calyx and a multiple five-petal corolla. Like the corolla, the seeds are inserted in the calyx. The plant is of Asiatic origin. Countries where rose is extensively cultivated for extractive purposes include Bulgaria, Turkey, Morocco, France and Italy. The parts used are the flowers, buds, leaves and fruit (hips). Rose has a deep, warm, rich rose odor with a slightly bitter, sharp flavor at high concentrations; pleasant on dilution. The fragrance of the rose flower, captured by extraction, is one of the most valuable flavor and fragrance products used. The most common aroma concentrates of rose are rose oil and rose water, derived from steam distillation; and rose concrete and rose absolute from solvent extraction. Of these, rose oil and rose concrete are produced in the largest quantities.The choice of rose derivatives for flavor application is often determined by the feasibility of introducing water-soluble β-phenethyl alcohol into the flavor complex. This component is present in large quantities in the extracts; it is almost absent in distillates and may, therefore, have a significant effect on the resulting aroma

Essential oil composition

The main constituents of rose derivatives include linalool, β-phenethyl alcohol, l-citronellol, nerol, geraniol, eugenol, aldehydes, esters and stearopten (paraffins).

Purification Methods

This biological stain can be purified by chromatography on silica TLC using a 35:65 mix of EtOH/acetone as eluent. [Beilstein 19 II 261, 19 III/IV 2926.]

Check Digit Verification of cas no

The CAS Registry Mumber 11121-48-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,1,1,2 and 1 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 11121-48:
(7*1)+(6*1)+(5*1)+(4*2)+(3*1)+(2*4)+(1*8)=45
45 % 10 = 5
So 11121-48-5 is a valid CAS Registry Number.
InChI:InChI=1/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)

11121-48-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name rose bengal

1.2 Other means of identification

Product number -
Other names 2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:11121-48-5 SDS

11121-48-5Synthetic route

bengal rosa trianion semireduced radical

bengal rosa trianion semireduced radical

A

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

B

methyl viologen cation radical
26985-31-9

methyl viologen cation radical

Conditions
ConditionsYield
Equilibrium constant;
bengal rosa trianion semireduced radical

bengal rosa trianion semireduced radical

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

Conditions
ConditionsYield
With oxygen
With oxygen Rate constant;
With diethylenetriaminopentaacetic acid; iron(III) Rate constant;
With ethylenediaminetetraacetic acid; iron(III) Rate constant;
2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

methyl viologen cation radical
26985-31-9

methyl viologen cation radical

B

bengal rosa trianion semireduced radical

bengal rosa trianion semireduced radical

Conditions
ConditionsYield
Equilibrium constant;
2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

bengal rosa trianion semireduced radical

bengal rosa trianion semireduced radical

Conditions
ConditionsYield
With e-aq Rate constant;
With e-aq
With carbon dioxide anion radical phosphate puffer pH: 7;
2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

bengal rosa monoanion semioxidised radical

bengal rosa monoanion semioxidised radical

Conditions
ConditionsYield
With azide radical phosphate puffer pH: 7;
2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

nicotinamide adenine dinucleotide radical

nicotinamide adenine dinucleotide radical

A

NAD
53-84-9

NAD

B

bengal rosa trianion semireduced radical

bengal rosa trianion semireduced radical

C

1

1

Conditions
ConditionsYield
Rate constant;
trihexyl(tetradecyl)phosphonium chloride
258864-54-9

trihexyl(tetradecyl)phosphonium chloride

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

2C32H68P(1+)*C20H2Cl4I4O5(2-)

2C32H68P(1+)*C20H2Cl4I4O5(2-)

Conditions
ConditionsYield
In dichloromethane; water for 48h;

11121-48-5Upstream product

11121-48-5Downstream Products

11121-48-5Relevant articles and documents

Rose Bengal Radicals and their Reactivity

Lambert, C.,Sarna, T.,Truscott, T. G.

, p. 3879 - 3882 (2007/10/02)

The one-electron oxidised (radical cation) and one-electron reduced (radical anion) forms of the photosensitiser rose bengal have absorption maxima at 470 nm (molar absorption coefficient 21100 dm3 mol-1cm-1) and 420 nm (molar absorption coefficient 37600 dm3mol-1cm1-), respectively.The radical anion (RB.-) undergoes electron-transfer reactions both with oxygen (k=1.5E8 dm3mol-1s-1) and iron(III) complexed with ethylenediamineteteraacetic acid (EDTA) (k=4.5E8 dm3mol1-s1-) and diethylenetriaminepentaacetic acid (DTPA) (k=8.6E8 dm3mol-1s-1).Rose bengal reacts both with solvated electron and semireduced nicotinamide adenine dinucleotide radical (NAD.) to give RB.- with the second-order rate constants of 3.1E10 and 9.6E8 dm3mol1-s1-.The one electron-reduction potential E21 for rose bengal, measured vis pluse radiolysis, was found to be -511 mV.

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