12-hydroxystearic acid

Oxidising properties

Administrative data

Endpoint:

oxidising properties

Type of information:

other: Structure activity based expert assessment

Adequacy of study:

key study

Study period:

Sept. 27, 2010

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: State of the art review of oxidising properties.

Justification for data waiving:

other:

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

reference to same study

Cross-reference 2

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2010

Materials and methods

Principles of method if other than guideline:

The chemical structure of the test substance was examined for the presence of groups associated with oxidising properties according to UN recommendations (Appendix 6 of the UN's Recommendations on the Transport of Dangerous Goods, Manual of Test and Criteria 4th ed (Revised Edition, 2003) and Section R7.1.13.3 of the REACH guidance R.7a: Endpoint-specific guidance (May 2008). Expert judgment was applied to conclude on the oxidising properties of the test substance.

Test material

Test material information

Constituent 1

Reference substance name:

12-hydroxystearic acid

EC Number:

203-366-1

EC Name:

12-hydroxystearic acid

Cas Number:

106-14-9

Molecular formula:

C18H36O3

IUPAC Name:

12-hydroxyoctadecanoic acid

Details on test material:

- Name of test material (as cited in study report): 12-hydroxystearic acid

Results and discussion

Any other information on results incl. tables

- Assessment according to UN recommendation:Therefore for 12-hydroxystearic acid, the classification procedure for oxidizing properties need not to be applied according to the above mentioned UN-Recommendations because one of the assessment criteria is met (i.e., the compound contains oxygen chemically bonded only to carbon)

- Assessment according to REACH Guidance: Therefore for test substance an experimental testing of the oxidizing properties would not be necessary according to the mentioned criteria of REACH-Guidance because one of the assessment criteria is met (i.e., the substance contains oxygen chemically bonded only to carbon). Further, none of the stated structural features is present in the molecule according to table R.7.1-29.

- Determination of structural oxygen deficiency: The following equation of reaction is applied as model for the combustion of 12-hydroxystearic acid:

C₁₈H₃₆O₃+ 25.5 O₂-------> 18 CO₂+ H₂O

indicating a consumption of oxidants during combustion of 12-hydroxystearic acid as major constituent of the test substance.

The following equation of reaction is applied as model for the combustion of a saturated fatty acid (with n = 16 for palmitic acid and n = 18 for stearic acid):

C_nH_2nO₂+ (1.5 n - 1) O₂--------> nCO₂+ nH₂O

indicating a consumption of oxidants during combustion of saturated fatty acids as further constituents of the test substance.

Table 1. Evaluation of the oxidizing properties of 12-hydroxystearic acid

Substance Name	Database Review	UN-Recomm­endation: Classification Procedure	REACH Guidance	Structural Oxygen Deficiency or Excess
12-hydroxystearic acid (individual compounds)	No dataset, no information	Not applicable	Testing of oxidizing properties can be waived based on a consideration of the structure	Oxygen deficiency

Applicant's summary and conclusion

Interpretation of results:

other: no oxidising properties

Remarks:

Migrated information

Conclusions:

The test substance is not expected to show oxidising properties.

Executive summary:

The chemical structure of 12 -hydroxystearic acid was examined for the presence of groups associated with oxidising properties according to UN recommendations (Appendix 6 of the UN's Recommendations on the Transport of Dangerous Goods, Manual of Test and Criteria 4th ed (Revised Edition, 2003) and Section 7.1.13.3 of the REACH guidance R.7a: Endpoint-specific guidance (May 2008).

It was assessed through expert judgment based on the evaluation of the available data and the composition of the substance that it will not show oxidizing properties.