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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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Diss Factsheets

Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Study period:
10 August - 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 source
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
3.9 - 4.4
Remarks on result:
other: EP-4000S chromatographed as three main components which were determined to have log10Pow values of 3.9, 4.3 and 4.4 (equivalent Pow values of 7100, 20000 and 24000
Conclusions:
The main components were found to have log10Pow values ranging from 3.9 to 4.4.

Description of key information

The log10Pow for EP- Aliphaticdiol diglycidyl ether is in the range 3.9 to 4.4.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.4
at the temperature of:
25 °C

Additional information

A partition coefficient 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 partition coefficient determination was performed according to EC and OECD test guidelines. EP-4000S chromatographed as three main components which were determined to have log10Pow values of 3.9, 4.3 and 4.4 (equivalent Pow values of 7100, 20000 and 24000.

The value of 3.9 to 4.4 for the octanol-water partition coefficient of EP-4000s will be taken as the value for the substance to be registered.

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.