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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
06-01-2018 – 10-01-2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard OECD test guidelines
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Principles of method if other than guideline:
The water solubility determination of test item 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate (CAS No. 84051-87-6) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101.
GLP compliance:
no
Type of method:
other: by spectrophotometric analytical method
Specific details on test material used for the study:
- Name of test material: 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
- IUPAC name: 2-[(E)-2-{4-[ethyl(2-hydroxyethyl)amino]phenyl}diazen-1-yl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium acetate
- Molecular formula: C21H26N4O4S
- Molecular weight: 430.5264 g/mole
- Smiles : CCN(CCO)c1ccc(cc1)/N=N/c2[n+](c3ccc(cc3s2)OC)C.CC(=O)[O-]
- Inchl: 1S/C19H23N4O2S.C2H4O2/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-2(3)4/h5-10,13,
24H,4,11-12H2,1-3H3;1H3,(H,3,4)/q+1;/p-1
- Substance type: Organic
- Physical state: Liquid
Key result
Water solubility:
255 700 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: no other details mentioned

WATER SOLUBILITY: PRELIMINARY TEST

0.1g of test item was taken in 100 ml beaker. DI water was added in increasing amount in sequence of 0.1 ml, 0.5 ml, 1.0 ml,

2.0 ml, 10.0 ml and 100.0 ml with intermediate stirring.

For highly soluble substances: Preliminary water solubility of test item was found 0.1g in 1 ml DI water. Five times the concentration recorded from preliminary solubility was used for confirmatory study.

WATER SOLUBILITY: CONFIRMATORY TEST

Five times the concentration recorded from preliminary solubility = 100000 mg/L × 5 = 500000 mg/L was used for confirmatory

study. Two separate solution of 10000 mg in 20 ml DI water were prepared and kept for stirring for 48 hrs and 72 hrs. After the

completion of stirring period the absorbance for all the two solution were recorded and concentration was detected on the basis of standard curve. Table 2 refers to the same.

 

Sample stirring

 

Concentration obtained on the basis of standard curve

 

Dilution factor

 

Solubility value obtained (mg/L)

 

24 hour

 

-

 

-

 

-

 

48 hour

 

6.428 mg/L

 

40000

 

257120 mg/L

 

72 hour

 

6.357 mg/L

 

40000

 

254280 mg/L

 

Considering the water solubility for 48 hrs and 72 hrs the mean water solubility was calculated as follows: Mean water solubility value for 48 hour run sample + 72 hour run sample

=(257120+254280)/2

=255700 mg/L

Conclusions:
The water solubility for the test item 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate was found to be 255700 mg/L at 25°C.
Based on experimental value the given chemical is considered to be very soluble in water.
Executive summary:

The water solubility determination of test item 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3- methylbenzothiazolium acetate (CAS No. 84051-87-6) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of (2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3- methylbenzothiazolium acetate of CAS No.84051-87-6) in water was found to be 255700 mg/L at 25°C.

Based on experimental value the given chemical is considered to be very soluble in water.

Description of key information

The water solubility for the test item 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate was found to be 255700 mg/L at 25°C.

Based on experimental value the given chemical is considered to be very soluble in water.

Key value for chemical safety assessment

Water solubility:
255 700 mg/L
at the temperature of:
25 °C

Additional information

The water solubility determination of test item 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3- methylbenzothiazolium acetate (CAS No. 84051-87-6) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of (2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3- methylbenzothiazolium acetate of CAS No.84051-87-6) in water was found to be 255700 mg/L at 25°C.

Based on experimental value the given chemical is considered to be very soluble in water.