2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione

pH

Administrative data

Endpoint:

pH

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2016

Report date:

2016

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

The mean pH of an aqueous solution or dispersion in water is determined with a pH measurement interface equipped with an appropriate electrode
system.

GLP compliance:

not specified

Test material

Test material information

Constituent 1

Reference substance name:

2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione

EC Number:

248-702-8

EC Name:

2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione

Cas Number:

27870-92-4

Molecular formula:

C36H45NO2S

IUPAC Name:

14-octadecyl-8-thia-14-azapentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione

Constituent 2

Reference substance name:

2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline- 1,3(2H)-dione

IUPAC Name:

2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline- 1,3(2H)-dione

Test material form:

solid: particulate/powder

Remarks:

migrated information: powder

Details on test material:

- Name of test material (as cited in study report):2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
- Molecular formula :C36 H45 N O2 S
- Molecular weight :555.823 g/mol
- Smiles notation :n1(c(c2ccc3c4c2c(c1=O)ccc4sc1ccccc31)=O)CCCCCCCCCCCCCCCCCC
- InChl :1S/C36H45NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-35(38)29-23-22-28-27-20-17-18-21-31(27)40-32-25-2430(36(37)39)33(29)34(28)32/h17-18,20-25H,2-16,19,26H2,1H3
- Substance type: organic
- Physical state: Solid

Results and discussion

pH value

pH value:

5.66

Temp.:

29 °C

Remarks on result:

other: No other details available

Any other information on results incl. tables

The pH Meter was calibrated according to the standard operating procedureNo. UERL/PC/009using pH4 .0, pH7.0 & pH9.2 reference solutions. The temperature of the reference solutions was also noted down. To measure the pH of test item, 1% w/vaqueous dispersion of test item was prepared with stirring.The solution was allowed to settle any suspended material, if any, for approximately one minute.The temperature of the solution was measured with the help of a glass thermometer kept in the test solution. It was ensured that the temperature of the test solution did not differ from that of reference solutions used for calibration. The pH electrode was inserted in the test solution;it was then connected to digital pH meter. The stop watch was started immediately. The pH value was recorded exactlyafter 1 minute and 2 minutes. As the difference in pH values of 1st and 2nd minute was equal, reading of 2nd minute was considered as a final pH value

Applicant's summary and conclusion

Conclusions:

The pH of 1% w/v dispersion of the test item 2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)- dione (CAS No27870-92-4)was 5.66 at29 °C.

Executive summary:

The pH determination of test item 2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione (CAS No 27870-92-4) was done following OECD guideline 122. pH of 1% w/v dispersion was measured with the help of pH meter and it was observed to be 5.66at 29 °C.