Reaction mass of 2-O-α-L-Rhamnopyranosyl-α-L-rhamnopyranosyl-β-hydroxydecanoyl-β-hydroxydecanoic acid and α-L-Rhamnopyranosyl-β-hydroxydecanoyl-β-hydroxydecanoic acid

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-04-10

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:

please refer to 'Attached justification'

Guideline:

other: ECHA Guidance R.6

Principles of method if other than guideline:

- Software tool(s) used including version: EPIWIN v4.1
- Model(s) used: MPBPWIN v1.43
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'

Type of method:

other: (Q)SAR prediction

Specific details on test material used for the study:

1) CAS 37134-61-5
CAS name Decanoic acid, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-,1-(carboxymethyl)octyl ester
SMILES: CCCCCCCC(CC(=O)OC(CCCCCCC)CC(=O)(O))OC1OC(C)C(O)C(O)C1O

2) CAS 4348-76-9
CAS name: Decanoic acid, 3-[[6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-mannopyranosyl]oxy]-, 1-(carboxymethyl)octyl ester
SMILES: CCCCCCCC(CC(=O)OC(CCCCCCC)CC(=O)(O))OC2OC(C)C(O)C(O)C2OC1OC(C)C(O)C(O)C1O

Temp.:

25 °C

Vapour pressure:

0 mm Hg

Remarks on result:

other: CAS 37134-61-5

Remarks:

Modified Grain Method

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: CAS 37134-61-5

Remarks:

Modified Grain Method

Temp.:

25 °C

Vapour pressure:

0 mm Hg

Remarks on result:

other: CAS 4348-76-9

Remarks:

Modified Grain Method

Temp.:

25 °C

Vapour pressure:

0 Pa

Remarks on result:

other: CAS 4348-76-9

Remarks:

Modified Grain Method

Conclusions:

The vapour pressure for CAS 37134-61-5 and CAS 4348-76-9 predicted by MPBPWIN v1.43 are 3.31E-16 Pa and 4.7E-23 Pa, respectively.

Executive summary:

The vapour pressure for both constituents of Rhamnolipid (CAS 147858-26-2) was predicted by MPBPWIN v1.43, which is implemented in EPIWIN v4.1 (US EPA 2012). The 'Modified Grain Method' was applied. The vapour pressure for CAS 37134-61-5 and CAS 4348-76-9 predicted by MPBPWIN v1.43 are 3.31E-16 Pa and 4.7E-23 Pa, respectively.

Description of key information

Estimations from a valid (Q)SAR model are used to address the endpoint, which is considered entirely appropriate for showing the expected very low vapour pressures of the constituents of the registration substance 'Decanoic acid, 3-[[6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-mannopyranosil-1-(carboxymethyl)octyl ester, mixture with 1-(carboxymethyl)octyl 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-decanoate':

- Vapour pressure of 1st main constituent 'Decanoic acid, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-,1-(carboxymethyl)octyl ester' (CAS 37134-61-5): 3.31E-16 Pa at 25°C (estimated using MPBPWIN programme v1.43 by U.S. EPA);

- Vapour pressure of 2nd main constituent 'Decanoic acid, 3-[[6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-mannopyranosyl]oxy]-, 1-(carboxymethyl)octyl ester' (CAS 4348-76-9): 4.7E-23 Pa at 25°C (estimated using MPBPWIN programme v1.43 by U.S. EPA);

- Key value for MuC 'Decanoic acid, 3-[[6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-mannopyranosil-1-(carboxymethyl)octyl ester, mixture with 1-(carboxymethyl)octyl 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-decanoate' (CAS 147858-26-2): 3.31E-16 Pa at 25°C, the higher vapour pressure of the two constituents.

Key value for chemical safety assessment

Vapour pressure:

0 Pa

at the temperature of:

25 °C