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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:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data are being assessed for the use in a category approach. Available information are being judged as reliable with restrictions since it was conducted by a modeled and measured data.
Remarks:
Data are being assessed for the use in a category approach. Available information are being judged as reliable with restrictions since it was conducted by a modeled and measured data.
Justification for type of information:
Modeled and measured data

Important considerations for the read-across were:

Sodium Olivoyl Glutamate (the target chemical) has similar physico-chemical properties as the others members:
- "Aliphatic acid category" (the source chemicals);
- "Amino acid alkyl amides category" (the source chemicals);
- Sodium oleoyl glutamate (the source chemicals);

Key points are that the members share:
- the same structural features
- similar metabolic pathways
- common levels and mode of human health related effects
- function.
Qualifier:
no guideline available
GLP compliance:
no
Key result
Water solubility:
> 3 mg/L
Conclusions:
Water solubility value is:
- C18 3.32
- C18:1 5.21 (modeled)
- C18:2 8.17
Executive summary:

Substance are solubles in water.

Endpoint:
water solubility
Type of information:
read-across based on grouping of substances (category approach)
Adequacy of study:
weight of evidence
Justification for type of information:
Important considerations for the read-across were:

Sodium Olivoyl Glutamate (the target chemical) has similar physico-chemical properties as the others members:
- "Aliphatic acid category" (the source chemicals);
- "Amino acid alkyl amides category" (the source chemicals);
- Sodium oleoyl glutamate (the source chemicals);

Key points are that the members share:
- the same structural features
- similar metabolic pathways
- common levels and mode of human health related effects
- function.
Key result
Remarks on result:
not measured/tested
Conclusions:
Overall, considering available data on the category members, the substance resulted to be water soluble.
Executive summary:

The substance resulted to be water soluble.

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Justification for type of information:
QSAR prediction

1. SOFTWARE
Danish (Q)SAR Database

2. MODEL
http://qsardb.food.dtu.dk/db/index.html

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C(=O)(O)C(CCC(=O)O)NC(=O)CCCCCCCC=CCCCCCCCC

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
http://qsardb.food.dtu.dk/db/index.html

5. APPLICABILITY DOMAIN
http://qsardb.food.dtu.dk/Danish_QSAR_Database_Draft_User_manual.pdf

6. ADEQUACY OF THE RESULT
Prediction fits the purpose of REACH Regulation.
Guideline:
other: REACH guidance on QSARs R6, May 2008
GLP compliance:
no
Key result
Water solubility:
ca. 0.013 mg/L
Remarks on result:
other: QSAR prediction
Remarks:
QSAR prediction
Conclusions:
Water solubility from Kow (mg/L) is 0.01325 (mg/L)
Executive summary:

Water solubility from Kow (mg/L) is 0.01325 (mg/L)

Endpoint:
water solubility
Type of information:
not specified
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: internal data
Justification for type of information:
internal data
Qualifier:
no guideline available
GLP compliance:
no
Key result
Remarks on result:
other: The test material is soluble
Remarks:
The test material is soluble
Conclusions:
The test material is soluble in water.
Executive summary:

Soluble in water.

Description of key information

A collection of water solubility data was performed was performed.

The substance resulted to be water soluble.

Key value for chemical safety assessment

Water solubility:
3 mg/L

Additional information

Water solubility of the substance falls into the range from 3 to 8 mg/L