Octadecanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017-10-23 to 2017-10-25

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: CIPAC MT 157.1

Version / remarks:

CIPAC Handbook Volume F, “Physico chemical Methods for Technical and Formulated Pesticides”, W. Dobrat and A. Martijn (1995)
 

GLP compliance:

no

Type of method:

flask method

Specific details on test material used for the study:

(Off)-white, crystalline powder

Key result

Water solubility:

< 10 mg/L

Conc. based on:

test mat.

Incubation duration:

>= 10 min

Temp.:

20 °C

Remarks on result:

other: for this preliminary test pH was not measured

Details on results:

The water solubility of the test item was determined at approx. 20 °C to be < 10 mg/L.
For details, please see section “any other information on results incl. tables”.

Test Temperature

Table 1: Temperature Data, recorded hourly

Test	Temperature [°C]
	Min.	Max.	Mean
Graduated cylinder	17.80	21.76	19.71
Volumetric flask (water bath)	20.09	20.29	20.16
Volumetric flask (room temperature)	19.05	23.91	20.92

Test with Graduated Cylinders

Table 2: Results of the Preliminary Test for Water (100 mg at max. 10 mL)

Test item (nominal 100 mg) [mg]	Volume of added water [mL]	Test item concentration (nominal) [g/L]	Homogenous solution (visual) [yes/no]
99.5	0.1	995	no
	0.5	199	no
	1	99.5	no
	2	49.75	no
	5	19.9	no
	10	9.95	no

Table 3: Results of the Preliminary Test for Water (10 mg at max. 10 mL)

Test item (nominal 10 mg) [mg]	Volume of added water [mL]	Test item concentration (nominal) [g/L]	Homogenous solution (visual) [yes/no]
11.0	0.1	110	no
	0.5	22.0	no
	1	11.0	no
	2	5.50	no
	5	2.20	no
	8	1.375	no
	10	1.10	no

Table 4: Results of the Preliminary Test for Water (10 mg at max. 100 mL)

Test item (nominal 10 mg) [mg]	Volume of added water [mL]	Test item concentration (nominal) [g/L]	Homogenous solution (visual) [yes/no]
10.3	1	10.3	no
	5	2.06	no
	10	1.03	no
	20	0.515	no
	50	0.206	no
	80	0.129	no
	100	0.103	no

Test with Volumetric Flasks

Table 5: Results of the Preliminary Test with Volumetric Flasks, stirred overnight at 20 °C

Test item (nominal 10 mg) [mg]	Volume of water [mL]	Test item concentration (nominal) [mg/L]	Homogenous solution (visual) [yes/no]
10.134	100	101.34	no
10.058	250	40.232	no
10.006	500	20.012	no
10.052	1000	10.052	no^1

1) Still no homogenous solution after additional stirring for 21 h at room temperature; not even a significant amount of the used test item was observed to be dissolved

 

 

 

Conclusions:

The water solubility of the test item at approx. 20 °C was < 10 mg/L.

Executive summary:

The water solubility of Ceramide III was determined via shaking method followed by visual check according to CIPAC MT 157.1 (CIPAC Handbook Volume F, “Physico chemical Methods for Technical and Formulated Pesticides”, W. Dobrat and A. Martijn (1995)).

No dissolution was observed at any time point of the study.

The water solubility of Ceramide III was determined to be < 10 mg/L at 20 °C.

Reference 2

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2018-01-11

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

For details please see attached justification.

Qualifier:

no guideline followed

Principles of method if other than guideline:

QSAR estimation, for details please see attached justification.

GLP compliance:

no

Type of method:

other: QSAR

Specific details on test material used for the study:

Used for calculation:
Smiles code: CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(O)CCCCCCCCCCCCCC)O
CAS: 34354-88-6
Melting Point (°C): 124.00

Key result

Water solubility:

0 mg/L

Conc. based on:

test mat.

Temp.:

25 °C

Remarks on result:

other: QSAR estimation

Conclusions:

The water solubility was estimated (WSKOW v1.42) to be 1.548E-008.

Executive summary:

The water solubility of Ceramide III was estimated with EPI WSKOW v1.42. The substance is within the applicability domain of the model. The water solubilty is 1.548E-008 mg/L at 25 °C.

Description of key information

In a reliable test, the water solubility of Ceramide III was determined according to CIPAC MT 157.1 by shaking with assigned amounts of water with visual observation of turbidity. The water solubility was measured to be below 10mg/l at 20 °C.

The water solubility of Ceramide III was estimated with EPI WSKOW v1.42. The substance is within the applicability domain of the model. The water solubilty is 1.548E-008 mg/L at 25 °C.

According to the outcome of QSAR estimation, the water solubility of the substance is too low to be measured with conventional analytical techniques. For the purpose of risk assessment and classification, the value from the QSAR estimation is sufficient.

Key value for chemical safety assessment

Water solubility:

0 mg/L

at the temperature of:

25 °C