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

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

29 September 2020 thru 14 October 2020

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

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

Justification for type of information:

Weight of Evidence assessment consisting of a non-standard testing methodology and supported by a valid QSAR model.

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:

OECD Guideline 105 (Water Solubility)

Deviations:

yes

Remarks:

Antimony & Sulfur (as CS2) used as surrgate analytes

Principles of method if other than guideline:

The study was performed through a combination of principles established in the following test guidelines / methods:
• OECD Guidelines for Testing of Chemicals, Section 1, No. 105, "Water Solubility", adopted 27 July 1995; Shake Flask Method [OECD 1995].
• NIOSH Method 1600, Carbon Disulfide [NIOSH 1994a].
• NIOSH Method 7303, Elements by ICP (Hot Block/HCl/HNO3 Digestion) [NIOSH 2003], with Mass Spectrometry (MS) detector.
• U.S. EPA Method 630, The Determination of Dithiocarbamate Pesticides in Industrial and Municipal Wastewaters [US EPA 2002].

GLP compliance:

no

Other quality assurance:

other:

Remarks:

This study was performed in accordance with AIHA-LAP, LLC quality procedures and NIOSH PAT. Although not equivalent to GLP, they are sufficiently robust to assure data quality for purposes of this study.

Type of method:

flask method

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

Water solubility

Key result

Water solubility:

<= 0.6 mg/L

Conc. based on:

element (dissolved fraction)

Remarks:

solubility of parent compound likely far lower

Loading of aqueous phase:

1.73 mg/L

Incubation duration:

4 h

Temp.:

30 °C

pH:

> 6 - < 8

Details on results:

The solubility of the test item in water is ≤ 0.6 mg/l, likely not as the parent compound but rather soluble antimony compounds and other possible degredation products.

Any other information on results incl. tables

Mass of test item introduced into 1 Liter of water: 1.73 mg (= 246 µg Sb)

Mass of antimony (Sb) recovered via filtration: 110 µg

Mass of Sb not recovered via filtration: 136 µg

Final volume of test solution: 1.5 L

Conversion factor from Sb to test item: 0.142

Soluble portion of test item: 0.136 mg ÷ 1.5 L ÷ 0.134 = 0.6 mg/L

Sb Positive Control Sample (Expected vs. Actual): 190 µg vs. 189 µg (0.53% difference) indicating the solubility portion of the study performed as expected.

CS₂ Positive Control Sample (Expected vs. Actual): 367 µg vs. < 6 µg indicating the test item may not decompose in water to form CS₂.

Applicant's summary and conclusion

Conclusions:

The solubility of the test item in water is ≤ 0.6 mg/l, likely not as the parent compound but rather soluble antimony compounds and other possible degredation products.

Executive summary:

In a study conducted in accordance with the main principles of OECD Guideline Method 105 under robust quality procedures similar to those required under GLP, the test item was determined to have a water solubility ≤ 0.6 mg/l, likely not as the parent compound but rather soluble antimony compounds and other possible degredation products.