Carbamodithioic acid, bis(mixed 2-ethylhexyl and 2-methylbutyl and pentyl) derivs., antimony (3+) salts

Solubility in organic solvents / fat solubility

Administrative data

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15 September 2020 thru 12 October 2020

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

study well documented, meets generally accepted scientific principles, acceptable for assessment

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Test guideline

Qualifier:

equivalent or similar to guideline

Guideline:

other: OECD 105 Shake Flask Method using n-Octanol instead of water

Deviations:

yes

Remarks:

n-Octanol used as solvent instead of water. Also, due to very high solubility, 5-times saturation was not possible.

GLP compliance:

no

Other quality assurance:

other: ISO 9000 and Internal Laboratory SOPs

Test material

Test material information

Constituent 1

Reference substance name:

Carbamodithioic acid, bis(mixed 2-ethylhexyl and 2-methylbutyl and pentyl) derivs., antimony (3+) salts

Molecular formula:

C33H66N3S6Sb to C51H102N3S6Sb

IUPAC Name:

Carbamodithioic acid, bis(mixed 2-ethylhexyl and 2-methylbutyl and pentyl) derivs., antimony (3+) salts

Test material form:

liquid: viscous

Specific details on test material used for the study:

PYSICAL DESCRIPTION: Highly viscous amber liquid.

PURITY: >99%

SOURCE OF TEST MATERIAL
- Source and lot/batch number of test material: WT05-19
- Expiration date of the lot/batch: not applicable

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: room temp.
- Stability under storage conditions: stable for the duration of testing.

Results and discussion

Solubility in organic solvents / fat solubility

Key result

Medium:

n-octanol

Solubility:

>= 82.42 vol%

Temp.:

20 °C

Test substance stable:

yes

Remarks:

Based on expected HPLC peaks

Any other information on results incl. tables

Second Main Experiment Sample Preparation
Octanol g	Sample g	Total g	% Sample Solution
3.6142	14.4985	18.1127	80.05%
3.6021	14.5470	18.1491	80.15%
3.6002	14.6307	18.2309	80.25%

Results of HPLC Analysis

Lot #	Date	Sample Results, mg/L	Sample Results, %	Standard Devation
Sample Vial 1	10/8/2020	727478.58	72.75%
Sample Vial 2	10/9/2020	769542.59	76.95%	3.87
Sample Vial 3	10/12/2020	824164.51	82.42%

Applicant's summary and conclusion

Conclusions:

The test substance was found to be very highly soluble in n-Octanol at >= 82.42% at 20 deg C.

Executive summary:

In an OECD 105 Guideline study using n-Octanol instead of water conducted under ISO 9000 quality procedures, the n-Octanol solubility of the test item was determined to be >= 82.42% at 20 deg C.