Sucrose, glycerol and propane-1,2-diol, reaction products with C16-18(even numbered) fatty acids

Endpoint summary

Additional information

Sucroglyceride C16 -18 is a white solid at 20°C and 1013 hPa with faint odour.

The melting range of Sucroglyceride C16 -18 is reported to be between 49 -73°C.

No boiling point or boiling range for Sucroglyceride C16 -18 could be detected prior to decomposition starting at >= 143°C.

The density of Sucroglyceride C16 -18 is reported to be 1.095 g/cm³ at 20°C (determined by gas displacement pycnometry according to OECD guideline 109).

In accordance with REACH Annex XI, 1. testing of the substance for particle size distribution (granulometry) is not necessary as the substance is markted and used only as pellets with diameters 3 - 4 mm.

The measurement of the vapour pressure of Sucroglyceride C16 -18 is technically not feasible due to residual water of ca. 3%, which cannot be removed by drying the substance. In case of measurement, the vapour pressure of water and not the substance itself would be measured. Thus, the vapour pressure of the main constituents was (a) calculated using EPI suite (MPBPVP v1.43) and (b) taken from a peer reviewed database (HSDB database).

The calculation resulted in 4.71E-14 Pa for Sucrose, 0.011 Pa for Glycerol, 7.36E-03 Pa for Palmitic acid, 0.0011 Pa for Stearic acid, 9.51E-08 Pa for the monoglyceride C16 and 1.7E-07 Pa for the monoglyceride C18.

For Glycerol, Palmitic acid and Stearic acid a database search (HSDB database) was performed. The values for vapour pressure (at 25°C) obtained from HSDB database were 0.022 Pa for Glycerol, 5.07E-05 Pa for Palmitic acid, and 5.6E-06 Pa for Stearic acid.

The value used for chemical safety assessment is 0.022 Pa at 25°C (vapour pressure of Glycerol), which can be considered as the worst case value as it is the highest vapour pressure in the substance.

Due to the complexity and the high variability in water solubility and dissociation constants of the constituents of Sucroglyceride C16-18 it is rather difficult to measure a reliable octanol/water partition coefficient. A calculation of a single partition coefficient for the UVCB substance is also not feasible. Thus, the main constituents of Sucroglyceride C16 -18 were examined separately. Where available, data from peer reviewed databases were taken. Calculations of log Kow were performed, where no data were available.

The octanol/water partition coefficients of Sucroglyceride C16-18 range from < 0 (Sucrose) to > 8 (Stearic acid).

Based on the recommendation given in the Guidance on Information Requirements (R7a), the octanol/water partition coefficients are given in ranges:

ca. 29% of the UVCB substance has a log Kow < 0

ca. 64% has a log Kow > 5

Sucroglyceride C16-18 is a complex reaction product of partial esters of glycerol, propane-1,2-diol and sucrose with fatty acids and unreacted glycerol, fatty acids and sucrose, containing very soluble constituents accounting for ca. 29% of the UVCB substance (Glycerol, Sucrose; solubility > 10000 mg/L) and slightly soluble to insoluble constituents (the larger part being fatty acid and fatty acid monoglycerides; solubility < 20 mg/L). Due to this composition, a single value for water solubility cannot be given.

A test on surface tension does not need to be conducted as according to REACH Regulation Annex VII, 7.6, column 2 this is only required if based on structure, surface activity can be predicted. For substances with a water solubility below 1 mg/L the test does not need to be conducted, either.

Sucroglyceride C16 -18 is a complex reaction product of partial esters of glycerol, propane-1,2-diol and sucrose with fatty acids and unreacted glycerol, propane-1,2-diol, fatty acids and sucrose. Glycerol and Sucrose comprise the larger part of the UVCB substance. For these constituents no surface activity is expected based on their structure. The remaining constituents, of which some may have surface active properties, are only slightly soluble in water.

No flash point for Sucroglyceride C16 -18 was detected up to 200°C (Pensky-Martens, closed cup).

Starting from 100°C the igniting flame is extinguished. These observations are conforming to the composition. The test item contains 3.1% water. This water produces water vapour which is incombustible.

From 115°C the sample smells like caramel. From 140°C steam rise up from the vessel. Theseobservations could be recognised because of the decomposition of the sample. At a temperature from 200°C the determination is stopped no flash point could be detected. After heating the sample is brown coloured because of decomposition.

According to REACH regulation Annex VII, 7.12, column II, a test on auto flammability does not need to be conducted for solids with a melting point below 160°C.

According to REACH Regulation (Annex XI, 1.), the study on flammability needs not to be conducted if the available data are sufficient for assessment. For the substance, a test on flash point is available.

Pyrophoricity and flammability on contact with water are not expected based on a consideration of the structure of Sucroglyceride C16-18

According to the REACH regulation (Annex VII, 7.11, column II), the study on explosiveness does not need to be conducted, if the substance does not contain chemical groups indicating explosive properties.

According to REACH regulation (Annex VII, 7.13, column II), testing of Sucroglyceride C16-18 for oxidising properties does not need to be conducted, as the substance does not contain any structural groups known to be correlated with a tendency to react exothermally with combustible material.