Registration Dossier

Administrative data

Description of key information

Oral: The acute oral LD50 was determined to be > 5000 mg/kg bw in rats.

Inhalation: No mortality was observed in an inhalation risk test with a saturated vapor (LD50 > 0,85 mg/l) in rats.

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records

Referenceopen allclose all

Endpoint:
acute toxicity: oral
Type of information:
experimental study
Adequacy of study:
key study
Study period:
1979-04-18 - 1980-12-22
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 401 (Acute Oral Toxicity)
Principles of method if other than guideline:
BASF test
GLP compliance:
no
Test type:
other: BASF test
Limit test:
yes
Species:
rat
Strain:
Sprague-Dawley
Sex:
male/female
Route of administration:
oral: gavage
Vehicle:
water
Doses:
5000 mg/kg bw
No. of animals per sex per dose:
5
Control animals:
no
Key result
Sex:
male/female
Dose descriptor:
LD50
Effect level:
> 5 000 mg/kg bw
Based on:
test mat.
Mortality:
no mortality
Clinical signs:
Dyspnea, Apathy, Staggering, Piloerection, Erythema, Exophthalmos, Poor general state
Interpretation of results:
GHS criteria not met
Conclusions:
Based on the available data the substance showed no mortality up to 5000 mg/kg bw.
Executive summary:

Based on the available data the substance showed no mortality up to 5000 mg/kg bw. Clinical signs were dyspnoea, apathy, staggering, piloerection, erythema, exophthalmos, and a poor general state.

Endpoint:
acute toxicity: oral
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Justification for type of information:
For details on endpoint specific justification please refer to the read-across report, endpoint specific justification.
Reason / purpose:
assessment report
Reason / purpose:
read-across source
Key result
Sex:
male
Dose descriptor:
LD50
Effect level:
> 5 000 mg/kg bw
Based on:
test mat.
Remarks on result:
other: Effect conc. are identical for the submission substance, because target and source substance have the same MW.
Interpretation of results:
GHS criteria not met
Conclusions:
Based on the available data the substance showed no mortality up to 5000 mg/kg bw.
Executive summary:

The study used as source investigated acute toxicity (oral) to rat. The study results of the source compound were considered applicable to the target compound, and were used for classification and labelling acc. to Regulation (EC) No 1272/2008. Justification and applicability of the read-across approach (structural analogue) is outlined in the read-across report in section 13

Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
11 April 2019
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 limited documentation / justification
Justification for type of information:
QSAR predictions for oral toxicity:
- T.E.S.T. 4.2.1
- ProTox II - oral toxicity
- Danish (Q)SAR Database
Qualifier:
no guideline required
GLP compliance:
no
Sex:
male/female
Dose descriptor:
LD50
Effect level:
3 380 mg/kg bw
Based on:
test mat.

QSAR prediction results for oral toxicity:

- T.E.S.T. 4.2.1:

LD50: 3380 mg/kg

Predicted Toxicity Class: 5

Average similarity: 100%

Prediction accuracy: 100%


- ProTox II - oral toxicity

Oral rat LD50: 7966.76 mg/kg

Predictions for the test chemical and for the most similar chemicals in the external test set

Mean absolute error in -Log10(mol/kg): Similarity coefficient ≥ 0.5; i.e. 0.42

Mean absolute error in -Log10(mol/kg): Entire set 0.43

Predictions for the test chemical and for the most similar chemicals in the training set

Mean absolute error in -Log10(mol/kg): Similarity coefficient ≥ 0.5; i.e. 0.34

Mean absolute error in -Log10(mol/kg): Entire set 0.34


- Danish (Q)SAR Database

Acute toxicity in Rodents

ACDLabs

LD50 (mg/kg/d)

Reliability Index

Rat Oral

9900

0.77

Rat Intraperitoneal

3300

0.75

Mouse Oral

10000

0.65

Mouse Intraperitoneal

3700

0.61

Mouse Intravenous

1400

0.57

Mouse Subcutaneous

2900

0.55


Reliability index: <0.3 = Not reliable prediction quality; 

0.3-0.5 = borderline prediction quality;

0.5-0.75 = moderate prediction quality;

>0.75 = high prediction quality.

Interpretation of results:
GHS criteria not met
Conclusions:
2,3-BUTANEDIOL (MESO) is not acute toxic via the oral route, i.e. the predicted LD50 (oral, rodent) >= 3380 mg/kg/d.
Executive summary:

Predicted results of models T.E.S.T. 4.2.1, ProTox II - oral toxicity and the Danish (Q)SAR Database indicated unambiguously that the test item is of no or very low acute toxicity to humans, i.e. the predicted LD50 (oral, rodent) >= 3380 mg/kg/d.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
5 000 mg/kg bw
Quality of whole database:
sufficient for evaluation

Acute toxicity: via inhalation route

Link to relevant study records

Referenceopen allclose all

Endpoint:
acute toxicity: inhalation
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Principles of method if other than guideline:
BASF test
GLP compliance:
no
Test type:
other: inhalation risk test (IRT)
Limit test:
no
Species:
rat
Strain:
not specified
Sex:
male/female
Route of administration:
inhalation: vapour
Type of inhalation exposure:
whole body
Vehicle:
air
Analytical verification of test atmosphere concentrations:
no
Duration of exposure:
7 h
Concentrations:
saturated atmosphere (20°C); max 0.85 mg/l
No. of animals per sex per dose:
a total of 12 animals
Control animals:
no
Key result
Sex:
male/female
Dose descriptor:
LC50
Effect level:
> 0.85 mg/L air
Based on:
other: saturated atmosphere of the test item
Interpretation of results:
GHS criteria not met
Executive summary:
No mortality was observed when 12 rats were exposed for 7 h to an atmosphere that has been saturated at 20°C with the volatile part of the compound.
Endpoint:
acute toxicity: inhalation
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Justification for type of information:
For details on endpoint specific justification please refer to the read-across report, endpoint specific justification.
Reason / purpose:
assessment report
Reason / purpose:
read-across source
Key result
Sex:
male/female
Dose descriptor:
LC50
Effect level:
> 0.85 mg/L air
Based on:
other: saturated atmosphere of the test item
Remarks on result:
other: Effect conc. are identical for the submission substance, because target and source substance have the same MW.
Interpretation of results:
GHS criteria not met
Conclusions:
No mortality was observed when 12 rats were exposed for 7 h to an atmosphere that has been saturated at 20°C with the volatile part of the compound.
Executive summary:

The study used as source investigated acute toxicity (inhalation) to rat. The study results of the source compound were considered applicable to the target compound, and were used for classification and labelling acc. to Regulation (EC) No 1272/2008. Justification and applicability of the read-across approach (structural analogue) is outlined in the read-across report in section 13.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LC50
850 mg/m³
Quality of whole database:
sufficient for evaluation

Acute toxicity: via dermal route

Endpoint conclusion
Endpoint conclusion:
no study available

Additional information

No key study is available on acute toxicity for the submission substance. However, adequate and reliable data are reported here for a structural analogue (source substance 2,3 -butandiol). Please also refer to the read-across justification document.


Oral

In the available key study, the test article 2,3 -butanediol was administered to 10 rats (5 male and 5 female). Observation period was 14 days. The oral LD50 was determined to be > 5000 mg/kg bw. Clinical signs observed were dyspnoea, apathy, staggering. [BASF 1980].

In a supporting study performed with the submission substance, predicted results of models T.E.S.T. 4.2.1, ProTox II - oral toxicity and the Danish (Q)SAR Database indicated unambiguously that the test item is of no or very low acute toxicity to humans, i.e. the predicted LD50 (oral, rodent) >= 3380 mg/kg/d.


Inhalation

In the available key study, no mortality was observed when 12 rats were exposed for 7 h to an atmosphere that has been saturated at 20°C with the volatile part of the compound (LC50 > 0,85 mg/l) [BASF, 1980]. 

Justification for classification or non-classification

No classification and labelling for acute oral and inhalation toxicity is necessary according to the CLP regulation.