Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, molybdatesilicate

Oxidising properties

Link to relevant study record(s)

Reference

Endpoint:

oxidising solids

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Study period:

19 March 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

PV1:2 read-across justification to PR81:5 for IUCLID

REPORTING FORMAT FOR THE ANALOGUE APPROACH

1. HYPOTHESIS FOR THE ANALOGUE APPROACH
This read-across is based on the hypothesis that source and target substances have the same type of toxicological effects based on common underlying mechanisms (ECHA, 2015b). All substances have the same organic structural group (colorant) with different compositions of the inorganic group (metallic salt). Read-across is in this case based on the hypothesis that source and target substances have similar toxicological properties because they degrade to the similar chemical substances (ECHA, 2015c). This prediction is supported by physicochemical and toxicological data on the substances.

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
Name Source Substance Target Substance
IUPAC name Reaction product of 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium Reaction product of ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]
chloride with silicomolybdic acid benzoate with silicomolybdic acid
CAS No 62973-79-9 63022-06-0
EC No 263-778-2 263-793-4
Molecular weight range ≥ 3700 ≤ 8200 ≥ 3700 ≤ 8200
Molecular formula (C28H31N2O3)x.2SiO2.(MoO3)y C28H31N2O3)x.2SiO2.(MoO3)y
x = 6-10 x = 6-10
y = 7-25 y = 7-25


Structural formula Structures are given in the document attached in the section below

Both substances are UVCB’s and so purity is considered to be 100% 
3. ANALOGUE APPROACH JUSTIFICATION
The target substance CAS 62973-79-9 is an organometallic multi-constituent substance. The source substance CAS 63022-06-0 have the same organic constituent (see table above) as the target substance consisting of a basic 3,6-bis(diethylamino)xanthylium structure which has been has additional methyl groups at positions 2,7 (PR81:5, only)and a carboxyphenyl group at position 9 which, for PR81:% only, has an ethyl substitution at position 2.. The inorganic Part B is the same between source and target substances, consisting of the elements O, Mo, P and W in different compositions. These differences are expected to behave very similar. The target and source substances are thus considered suitable for the analogue approach based on structural similarity.
4. DATA MATRIX

Reason / purpose for cross-reference:

read-across source

Qualifier:

according to guideline

Guideline:

other: Regulation (EC) No 1272/2008 of 16 December 2008 on Classification Labelling and Packaging of Substances and mixtures.

Qualifier:

according to guideline

Guideline:

other: United Nations Recommendations on the Transport of Dangerous Goods Manual Tests and Criteria, 5th revised edition 2009.

Contact with:

other: POTASSIUM BROMATE

Duration of test (contact time):

3 min

Key result

Sample tested:

4:1 sample-to-cellulose ratio

Parameter:

other: Sample did not ignite so ignition turned off after 3 minutes

Result:

> 180 s

Remarks on result:

other:

Remarks:

no continuous ignition

Key result

Sample tested:

1:1 sample-to-cellulose ratio

Parameter:

mean burning time

Result:

334 s

Remarks on result:

other:

Remarks:

ignited but did not propigate

Key result

Sample tested:

reference: 3:7 mixture potassium bromate + cellulose

Parameter:

mean burning time

Result:

114 s

Remarks on result:

flash burning at the surface

Interpretation of results:

GHS criteria not met

Conclusions:

The test results indicated that the test item is not an oxidizing solid.

Executive summary:

The test substance C.I. Pigment Violet 1:2 is not considered to be an oxidising solid. As explained in the justification for the type of information, the differences in molecular structure between the target and the source are unlikely to lead to differences in the oxidising properties and as C.I.Pigment Red 81:5 is not considered to be an oxidising solid therefore neither is C.I.Pigment Violet 1:2.

Key value for chemical safety assessment

Oxidising properties:

non oxidising