Oligomeric reaction products of 4,4'-propane-2,2-diyldiphenol and 2-methyloxirane and 2-(chloromethyl)oxirane

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

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

Adequacy of study:

key study

Study period:

10 August 2012 - 20 November 2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP compliant study conducted in accordance with international guidelines.

Justification for type of information:

1. HYPOTHESIS FOR THE ANALOGUE APPROACH
Common functional groups and similar composition.

EP-4000s and the registered substance are very similar. They are UVBC substances and both are oligomeric reaction products of 4,4'-propane-2,2-diyldiphenol and 2-methyloxirane and 2-(chloromethyl)oxirane where constituents are structurally related. EP-4000s contains less than 0.1% monochlorinated constituents while the registered substance contains approximately 10% monochlorinated constituents. As these are otherwise structurally similar to other constituents it can be reasonably expected that EP-4000s and the registered substance will have essentially the same properties.

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)

EP4000s:
Purity 79.7-90%, 3 main components F, E, C
Impurities:
5 known by-products 18%
6 unknown impurities 2.4%
Water 0.1%
Chlorinated impurities <0.1%

Aliphaticdiol diglycidyl ether:
Purity 92.57%, 3 main components F, E, C
Impurities:
5 known by-products (same identity as EP-400s) 14.37%
Water none
Two new impurities (I and J) 10.48% in total

Further details are provided in Section 13 Assessment Reports

3. ANALOGUE APPROACH JUSTIFICATION

Read across all data – the presence of one chlorine atom in components comprising 10% of a relatively high molecular weight mixture will not have a significant effect on physicochemical properties. Furthermore, alky halides are known to have fire retardant properties and therefore impurities I and J will not confer any flammable properties. It is noted that the log Pow is determined on the three main components of EP-4000s which means if the test was repeated on the Aliphaticdiol diglycidyl ether the result would be the same as both substances have the same three main components.

Overall conclusion – no new information would be gained by testing Aliphaticdiol diglycidyl ether for physicochemical properties.

4. DATA MATRIX

Not applicable – read across based on similar composition for all physicochemical endpoints.

Reason / purpose for cross-reference:

read-across: supporting information

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Water solubility:

16 mg/L

Temp.:

20 °C

pH:

6.7 - 7

Conclusions:

Water solubility was found to be 16 mg/l at 20°C and is regarded as slightly souble (10-100mg/l)

Description of key information

The water solubility of Aliphaticdiol diglycidyl ether is 16 mg/L at 20°C.

Key value for chemical safety assessment

Water solubility:

16 mg/L

at the temperature of:

20 °C

Additional information

A water solubility determination was conducted as part of a package of physicochemical testing on EP-4000S (Huntingdon Life Sciences, 2012, Study CVJ0131). The study was conducted in compliance with GLP and the water solubility determination was performed according to EC and OECD test guidelines. EP-4000S was found to have a water solubility of 16 mg/L at 20°C.

The value of 16 mg/L for the water solubility of EP-4000s will be taken as the value for Aliphaticdiol diglycidyl ether.

Justification for read across justification - EP-4000s and Aliphaticdiol diglycidyl ether are very similar substances. They are UVBC subtances and both are oligomeric reaction products of 4,4'-propane-2,2-diyldiphenol and 2-methyloxirane and 2-(chloromethyl)oxirane where consituents are structurally related. EP-4000s contains less than 0.1% monochlorinated consitiuents while Aliphaticdiol diglycidyl ether contains approximately 10% monochlorinated constituents, but as these are otherwise structurally similar to other constituents it can be reasonably expected that EP-4000s and Aliphaticdiol diglycidyl ether will have essentially the same physicochemcial properties.