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Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
June 2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Study conducted in accordance with generally accepted scientific principles, possibly with incomplete or methodological deficiencies, which do not affect the quality of relevant results.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
not specified
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
2-hydroxy-3-({3-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]propyl}dimethylazaniumyl)propane-1-sulfonate
EC Number:
695-243-8
Cas Number:
500731-87-3
Molecular formula:
C18H28N2O6S
IUPAC Name:
2-hydroxy-3-({3-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]propyl}dimethylazaniumyl)propane-1-sulfonate
Test material form:
other: liquid
Details on test material:
Product identification:
Chemical name: 3-(N-p-methoxy cinnamidopropyl-N,N-dimethyl ammonium)-2-hydroxypropane-1-sulphonate
INCI name: Methoxycinnamidopropyl Hydroxysultaine
Product Code (supplier): Galaxy SunBeat
CAS number: 500731-87-3
Molecular Weight: 400 g/mol
Molecular Formula: C18 H28 O6 N2 S
E1%1cm at 306 nm in water: 245-290

Results and discussion

Water solubility
Water solubility:
0.703 other: kg/kg
Conc. based on:
test mat.
Temp.:
25 °C
pH:
>= 6.5 - <= 6.6
Details on results:
Solubility is calculated as 0.703 kg/kg at 25 ° (expressed as a mass of solute per mass of solution)

Any other information on results incl. tables

Calculations:

Refer to the retention times of standard solution of Galaxy SunBeat to identify peaks in the chromatogram of the test solution and calculate the concentration of the test solution by using the equation below:

Csample= CstdX (ATest/Astd) x DF

Where:

Csample= concentration of sample solution in µg/mL

 Cstd  = concentration of standard solution in µg/mL

ATest= area under Galaxy SunBeat peak of test solution

Astd= area under Galaxy SunBeat peak of standard solution

DF = dilution factor

Calculate the concentration of SunBeat in the test sample (i.s. centrifuge liquid) by using the equation below:

   Solubility (in kg/m3) = [Solubility (in kg/m3)]/1000

   Solubility (in kg/kg) – solubility in (kg/m3)/(Density of water (in kg/m3)

 

Experimental Data:

No.

Period (Equilibration time, day)

Temperature

°C

pH of aqueous solution

Solubility (kg/m3)

1

1

25

6.6

703

2

2

25

6.5

701

3

3

25

6.5

698

 

 

 

 

701

 Density of water at 25 °C is 997.045 kg/m3(Reference: Perry’s Chemical Engineer’s Handbook; Seventh Ed.)

 

Therefore the solubility is:

Solubility (in kg/kg) = solubility in (kg/m3)/Density of water (in kg/m3)

Solubility (in kg/kg) = 701 kg/m3/ 997.045 kg/m3

Solubility (in kg/kg) = 0.703 kg/kg

Applicant's summary and conclusion

Conclusions:
Solubility of Galaxy SunBeat in water is 0.703kg/kg at 25 °C (expressed as a mass of solute per mass of solution).
Executive summary:

Water solubility of Galaxy SunBeat was determined as per OECD guidelines for the testing of chemicals, No.105. Flask method was used. Solubility of Galaxy SunBeat in water is 0.703 kg/kg at 25 °C (expressed as a mass of solute per mass of solution).