Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Endpoint:
acute toxicity: other routes
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
A real grade of toxicity of a NOAEL is not possible to evaluate with the aid of the modeling tool. It delivers only information about “direction” of toxicity and states that the substance is of unknown toxicity (“Class III” according to the modeling tool).
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report date:
2011

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
Prediction by the OECD QSAR Toolbox
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Sodium 3-mercaptopropanesulphonate
EC Number:
241-620-3
EC Name:
Sodium 3-mercaptopropanesulphonate
Cas Number:
17636-10-1
Molecular formula:
C3H8O3S2.Na
IUPAC Name:
sodium 3-sulfanylpropane-1-sulfonate
Details on test material:
Chemical 1-Propanesulfonic acid, 3-mercapto-, monosodium salt evaluated by Toxtree modeling tool

Test animals

Species:
other: not applicable

Administration / exposure

Route of administration:
other: not applicable

Results and discussion

Effect levels
Dose descriptor:
other: Prediction
Effect level:
other: Class I substances are simple chemical structures with efficient modes of metabolism suggesting a low order of oral toxicity
Based on:
other: QSAR rules evaluating structural alerts
Remarks on result:
other: Substance allocated in the “TOXTREE Toxicity Class I”, which is characteristical for substances with a low level of toxicity.

Any other information on results incl. tables

Explanations of QSAR rules

Q1.Normal constituent of the bodyNo

Q2.Contains functional groups associated with enhanced toxicityNo

Q3.Contains elements other than C,H,O,N,divalent SYes

Q4.Elements not listed in Q3 occurs only as a Na,K,Ca,Mg,N salt, phosphate, sulphamate, sulphonate, sulphate, hydrochloride ...Yes

Q40.Possibly harmful organophosphate or organophosphothionate.No
Q41.Removes phosphatesNo
Q7.HeterocyclicNo
Q16.Common terpeneNo

Q17.Readily hydrolysed to a common terpeneNo

Q19.Open chainYes

Q20.Aliphatic with some functional groups (see explanation)Yes
Q21.3 or more different functional groupsNo
Q44.Free a,b-unsaturated heteroatom...No
Q18.One of the list (see explanation)NoClass Low (Class I)

Applicant's summary and conclusion

Conclusions:
The substance is allocated in the “TOXTREE Toxicity Class Low”, which is characteristically for substances with simple chemical structure with efficient modes of metabolism suggesting a low order of oral toxicity.
Executive summary:

1-Propanesulfonic acid, 3-mercapto-, monosodium salt is allocated in the “TOXTREE Toxicity Class Low”, which is characteristically for substances with simple chemical structure with efficient modes of metabolism suggesting a low order of oral toxicity.