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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Description of key information

Estimated LD50 was considered to be 170000 mg/kg bw when rat were treated disodium 4-oxo-2-sulfonato-5, 8, 11, 14-tetraoxahexacosan-1-oate orally.   

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records
Reference
Endpoint:
acute toxicity: oral
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from Danish QSAR
Qualifier:
according to guideline
Guideline:
other: Prediction
Principles of method if other than guideline:
Prediction is done by using Danish QSAR (EPA Model)
GLP compliance:
not specified
Test type:
other: No data
Limit test:
no
Specific details on test material used for the study:
- Name of test material (as cited in study report): disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate
- Molecular formula (if other than submission substance): C22H42O10S.2Na
- Molecular weight (if other than submission substance): 542.594 g/mole
- Substance type: Organic
Species:
rat
Strain:
not specified
Sex:
not specified
Details on test animals or test system and environmental conditions:
No data
Route of administration:
oral: unspecified
Vehicle:
not specified
Details on oral exposure:
No data available
Doses:
17000 mg/kg bw
No. of animals per sex per dose:
No data available
Control animals:
not specified
Details on study design:
No data available
Statistics:
No data available
Preliminary study:
No data available
Sex:
not specified
Dose descriptor:
LD50
Effect level:
17 000 mg/kg bw
Based on:
test mat.
Remarks on result:
other: 50 % mortality observed
Mortality:
No data available
Clinical signs:
other: No data available
Gross pathology:
No data available
Other findings:
No data available
Interpretation of results:
Category 5 based on GHS criteria
Conclusions:
LD50 was estimated to 17000 mg/kg bw when mice were treated with disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate orally
Executive summary:

In a acute oral toxicity estimation done by using Danish QSAR (EPA Model),50 % mortality observed at 17000 mg/kg bw . Therefore,estimated LD50 was considered to be 170000 mg/kg bw when rat were treated with disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate orally.   

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
170 000 mg/kg bw
Quality of whole database:
Data is Klimisch 2 and from Danish QSAR toolbox

Acute toxicity: via inhalation route

Endpoint conclusion
Endpoint conclusion:
no study available

Acute toxicity: via dermal route

Endpoint conclusion
Endpoint conclusion:
no study available

Additional information

Acute oral toxicity:

In different studies, disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo estimated and experiments in rodents, i.e. most commonly in rats for disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate along with the study available on structurally similar read across substance across substance Sodium 1-methoxycarbonylpentadecane-2-sulfonate (CAS: 4016-24-4)The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.

In prediction done by SSS (2017) using Danish QSAR (EPA Model), 50 % mortality observed at 17000 mg/kg bw . Therefore, estimated LD50 was considered to be 170000 mg/kg bw when rat were treated disodium 4-oxo-2-sulfonato-5, 8, 11, 14-tetraoxahexacosan-1-oate orally.   

In another prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate. The LD50 was estimated to be 2074 mg/kg bw when Wistar female rats were orally exposed with 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate.

Also it is further supported experimental data by J-CHECK (Ministry of Health, Labour and Welfare", "Ministry of the Environment" and "National Institute of Technology and Evaluation, 2010), on structurally similar read across substance Sodium 1-methoxycarbonylpentadecane-2-sulfonate (CAS: 4016-24-4), Crj: CD(SD)IGS male and female rats were treated Sodium 1-methoxycarbonylpentadecane-2-sulfonate in the concentration of 0, 786, 983, 1229, 1536, 1920, 2400 mg/kg orally by gavage in Olive oil. Deaths was observed 6 to 24 hours after administration in male rats at 983, 1229, 1536, 1920, 2400 mg/kg and in female rats at 1536, 1920, 2400 mg/kg. Decreased locomotor activity, ptosis, diarrhea, soiling of the perineal region and piloerection were observed in treated groups. Most clinical signs in the survivors showed a tendency for recovery on the day following administration and all had disappeared after 6 days. In addition, Dose dependent decrease in body weights were observed in treated male and female rats. However, a tendency for recovery was noted 3 days after the administration. Distention of the stomach with a watery content was observed in most of the animals which died. Therefore, estimated LD50 was considered to be 170000 mg/kg bw when rat were treated disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate orally.   

Thus based on the above studies and predictions on 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate and its read across substances, it can be concluded that most of the LD50 value is greater than 2000 mg/kg bw. Thus comparing this value with the criteria of CLP regulation, 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate can be Not classified for acute oral toxicity.

Justification for classification or non-classification

Thus, based on the above studies and predictions on 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate and its read across substances, it can be concluded that most of the LD50 value is greater than 2000 mg/kg bw. Thus comparing this value with the criteria of CLP regulation, 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate can be Not classified for acute oral toxicity.