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EC number: 294-601-7 | CAS number: 91744-39-7
Endpoint summary
Administrative data
Description of key information
Additional information
The substance (glycerides, C16-18 mono-, di- and tri-, hydrogenated, citrates, sodium salts; CAS 91744-39-7), which is a white solid, has a melting point of 58 °C as determined by Dynamic Differential Scanning Calorimetry. The same method was used to assess the boiling point. However, the boiling point could not be determined due to substance decomposition from 230 °C onwards.
The water solubility of the test substance was determined at 20 °C and pH 6-7 (ASTM E 1148 - 02). When applied at appr. 115 mg/L the water solubility of the test substance resulted in 5 ± 2 mg/L, whereas higher water solubility (23 ± 1 mg/L) was obtained when 1000 mg/L were applied.
For the endpoints density and vapour pressure read-across from the structural analogue with CAS 91744-38-6 (Glycerides, C16-18 mono-, di- and tri-, hydrogenated, citrates, potassium salts) is used for the registration of CAS 91744-39-7 (Glycerides, C16-18 mono-, di- and tri-, hydrogenated, citrates, sodium salts). As both substances show no differences in their chemical composition except for the cations associated to the molecule, substantial differences regarding physico-chemical properties are not expected. For details please refer to the read-across report.
The density as determined according to OECD 109 is 1.032 g/cm³ at 22 °C.
The vapour pressure (method: NFT 20-048 AFNOR, Sept. 85) is below 5 Pa at 20 °C and 50 °C, respectively.
In order to determine the log Pow of CAS 91744-38-6 the HPLC method according to OECD 117 was applied. Due to analytical difficulties the log Pow value was estimated by using literature data for free citric and lactic acid as well as for fatty acids and glycerol. Further on the substance consists of appr. 50 % of partial glycerides of which the monoglycerides have log Pow of 5.2 (C16) to 6.6 (C18) and the di- and triglycerides have values above 12.
The log Pow values of citric di- and triesters of partial glycerides are estimated by EPISuite to be also above 11.
The overall log Pow of CAS 91744-38-6 was estimated to be > 8.
The same approach was applied for the analogue substance glycerides, C16-18 mono-, di- and tri-, hydrogenated, citrates, potassium salts (CAS 91744-39-7) in a read-across approach. Both substances are UVCBs (purity: 100 %) with same chain length (C16-C18) and same functional groups:
- Mono-, di- and tri-, hydrogenated groups
- Citrate groups
Both substances only differ in the respective cation, which is the potassium cation (CAS 91744-38-6) and the sodium cation (CAS 91744-39-7), respectively. Thus, the result for CAS 91744-38-6 (log Pow > 8) is also applicable to CAS 91744-39-7.
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