Tin(2+) neodecanoate

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

19.09.2017 to 24.10.2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling point/boiling range)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

Tin(2+) neodecanoate

EC Number:

256-370-0

EC Name:

Tin(2+) neodecanoate

Cas Number:

49556-16-3

Molecular formula:

C20H38O4Sn

IUPAC Name:

λ²-tin(2+) bis(2,2-dimethyloctanoate)

Test material form:

liquid

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: produced at the laboratory/batch TG 3688
- Expiration date of the lot/batch: under the below mentioned storage conditions the substance is table until 6 months.
- Purity test date: > 95% based on Sn2+ content; may contain free neodecanoic acid

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: storage under nitrogen to avoid hydrolysis and oxidation
- Solubility and stability of the test substance in water: dissociates in water
- Solubility of the test substance in other solvents: DMSO, Acetone

The test item is the tin (II) salt of neodecanoic acid. The product is a clear liquid at 20 °C and
101.3 kPa. The product is hydrolytically instable and stored under a dry nitrogen atmosphere to avoid
disintegration. All analyses included in this report have been performed with the batch TG 3688, which was
produced at the laboratory. All specifications were met.

Results and discussion

Boiling point

Atm. press.:

1 013 hPa

Decomposition:

yes

Decomp. temp.:

> 220 °C

Remarks on result:

other: no boiling point was found prior to decomposition which started at 124,2°C

Applicant's summary and conclusion

Conclusions:

In a study conducted according to guideline no boiling point was found prior to decomposition which started at 124,2°C.

Executive summary:

The boiling point of Neodecanoic acid, tin(2 +) salt (2:1) was investigated in a study conducted according to OECD Guideline 103 (Boiling point/boiling range) and EU Method A.2 (Boiling Temperature) and using the DSC method.

In the TGA test, a sample of the test item was heated from 30 °C to 300 °C in an inert gas

atmosphere (N2). A first drop was detected beginning at 124.2 °C (onset). The main drop was

detected beginning at 245.2 °C (onset). Up to 124.2 °C the weight loss was below 5 %, at 245. °C

the total weight loss of 27.3 % was recorded.

Above 245.2 °C (onset) the weight continuously decreased and reached a loss of approx. 93 % at

300 °C.

The recorded main weight loss above 245 °C (estimated onset on TGA) may indicate a beginning

evaporation (boiling), however, with respect to the chemical nature a decomposition of the test

item appears to be more likely.

In order to provide evidence for this assumption, a degradation test was performed during which

an aliquot of the sample was heated to 220°C for 15 minutes and the remaining residue war

characterised by NMR spectroscopy. The NMR analysis confirms the decomposition of the

product as in increased amount of free neodecanoic acid was detected. The appearance of free

acid explains the weight loss drop at 245.2 °C as begin of the boiling range of the used

neodecanoic acid.

Consequently, Zinn-Neodekanoat does not provide a boiling point until disintegration at about

220 °C.