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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
read-across based on grouping of substances (category approach)
Adequacy of study:
key study
Study period:
May 19, 2021
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
comparable to guideline study
Justification for type of information:
See category justification attached in Section 13 for more information. Evaluating alkyl phenate sulfides (“phenates”) as a category is appropriate based on similar chemical structures and starting materials, manufacturing processes, physical and chemical properties, functional uses as a lubricating oil additive, and toxicological data. Regarding the ECHA Read-Across Assessment Framework (2017), the alkyl phenate category fit into Scenario 6 (different compounds with the same effect and no variation in the strength of that effect across substances).

Phenates in this category are manufactured in a similar way and from the same staring alkylphenol, tetrapropenyl phenol (“TPP”, EC 310-154-3; AKA phenol, dodecyl-, branched (PDB, PDDP)). The primary difference among the phenates is if they have calcium carbonate basing; the amount of overbasing may also differ. However, based on the trends observed with the robust toxicology data for the category, the amount of calcium carbonate overbasing is not expected to alter the hazards, especially as the core phenate functionality does not change and calcium carbonate has a low hazard potential.

Based on the data and consistent trends observed among category members, phenates have low hazard for human health and the environment. The registered (target) substance, EC 701-208-0 is very similar to EC 701-251-5 and this substance can be used as direct read across (and is used as the test material in the target record, where data exists for this source substance); EC 701-249-4 and 272-388-1 serve to bracket EC 701-208-0 with EC 701-251-5 regarding different levels of calcium carbonate overbasing.
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
duplicates instead of triplicates
GLP compliance:
no
Other quality assurance:
ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
Type of method:
flask method
Key result
Water solubility:
< 5.08 ppb
Incubation duration:
2 h
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: based on LOQ
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
2010
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: non-GLP study sufficient for purpose here.
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to other study
Principles of method if other than guideline:
None
GLP compliance:
no
Remarks:
GLP study not necessary here.
Type of method:
flask method
Water solubility:
> 0 - < 3.66 mg/L
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: Shake flask method
Details on results:
See test report

None

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
Water solubility is <3.66mg/L, which is the limit of detection in this analysis. Also observed is a water soluble fraction of unreacted alkylphenol impurities having an observed concentration of 0.08mg/L in this test substance matrix. For other similar phenates, using a non-standard analytical method, we have observed that these phenate oligomers exhibit a water solubility typically within the range of 50-100 part per billion (ppb).
Executive summary:

Water solubility is (significantly) less than 3.66mg/L. The water solubility of a very similar phenate was measured using a non-standard technique (water fraction concentration followed by a MS analytical finish), which indicated a water solubility of approximately 50 -100 ppb.

Description of key information

The water solubility of the registered substance was measured to be < 3.66 mg/L. Based on what is known about this and similar materials in the alkyl phenate sulfide category, the water solubility is expected to be well below this value. For risk assessment purposes, the value of a closely related analog, EC 701-251-5, is adopted (0.00508 mg/L). The study on the analog was more recent and had a lower LOD/LOQ. The value from this study was also a less than value but it is more appropriate to use as a conservative estimate than the 3.66 mg/L value for risk assessment purposes. 

Key value for chemical safety assessment

Water solubility:
0.005 mg/L
at the temperature of:
25 °C

Additional information