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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Boiling point

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Administrative data

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Endpoint:
boiling point
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
Principles of method if other than guideline:
Boiling Point (deg C) prediction.
GLP compliance:
no
Key result
Boiling pt.:
ca. 603.71 °C
Remarks on result:
other: Boiling Point (deg C) prediction.
Remarks:
Boiling Point (deg C) prediction.
Conclusions:
Boiling point values is 603.71 °C.
Executive summary:

Boiling point values is  603.71 °C.

Endpoint:
boiling point
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:
The boiling point of the substance falls into the range from 400°C to 600°C.
Executive summary:

Overall, considering available data on the category members, the boiling point of the substance falls into the range from 400°C to 600°C.

Description of key information

A collection of the boiling point values was performed.

The boiling point of the substance falls into the range from 400°C to 600°C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
603.71 °C

Additional information

Overall, considering available data on the category members, the boiling point of the substance falls into the range from 400°C to 600°C.