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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

A literature reference is available summarizing test results of an acute oral toxicity test with rat and mice.

An OECD SIDS report for analogoues substances Benzoic acid, Sodium Benzoate and Potassium Benzoate is available and taken into consideration as well as an in silico category approach on the HPV category of Benzoates.

An OECD SIDS report for the analogoues substance Ammonium chloride is taken into consideration.

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:
weight of evidence
Study period:
1986
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
abstract
Qualifier:
no guideline available
Principles of method if other than guideline:
results of an acute toxicity study in rats and mice is reported. Information on method is not available.
GLP compliance:
no
Test type:
standard acute method
Limit test:
no
Specific details on test material used for the study:
not specified
Species:
mouse
Strain:
not specified
Sex:
not specified
Details on test animals or test system and environmental conditions:
not specified
Route of administration:
oral: gavage
Vehicle:
not specified
Details on oral exposure:
not specified
Doses:
not specified
No. of animals per sex per dose:
not specified
Control animals:
not specified
Details on study design:
not specified
Statistics:
not specified
Key result
Sex:
not specified
Dose descriptor:
LD50
Effect level:
235 mg/kg bw
Based on:
not specified
Mortality:
death of animals is mentioned and assumed to be basis for LD50 calculation, no specific information available
Clinical signs:
other: low mobility, lethargy, weakened response to sound stimuli, paresis, paralysis of the front paws, tremor, lateral position, preceding death
Gross pathology:
not specified
Other findings:
not specified
Interpretation of results:
Category 4 based on GHS criteria
Conclusions:
For Ammonium Benzoate, the LD50 in mice is reported to be 235 mg/kg bw
Executive summary:

only abstract/summary of results availble.

Endpoint:
acute toxicity: oral
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
1986
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
abstract
Qualifier:
no guideline available
Principles of method if other than guideline:
results of an acute toxicity study in rats and mice is reported. Information on method is not available.
GLP compliance:
no
Test type:
standard acute method
Limit test:
no
Specific details on test material used for the study:
not specified
Species:
rat
Strain:
not specified
Sex:
not specified
Details on test animals or test system and environmental conditions:
not specified
Route of administration:
oral: gavage
Vehicle:
not specified
Details on oral exposure:
not specified
Doses:
not specified
No. of animals per sex per dose:
not specified
Control animals:
not specified
Details on study design:
not specified
Statistics:
not specified
Key result
Sex:
not specified
Dose descriptor:
LD50
Effect level:
825 mg/kg bw
Based on:
not specified
Mortality:
death of animals is mentioned and assumed to be basis for LD50 calculation, no specific information available
Clinical signs:
other: low mobility, lethargy, weakened response to sound stimuli, paresis, paralysis of the front paws, tremor, lateral position, preceding death
Gross pathology:
not specified
Other findings:
not specified
Interpretation of results:
Category 4 based on GHS criteria
Conclusions:
For Ammonium Benzoate, the LD50 in rats is reported to be 825 mg/kg bw
Executive summary:

only abstract/summary of results availble.

Endpoint:
acute toxicity: oral
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
report date 2004
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
abstract
Justification for type of information:
REPORTING FORMAT FOR THE ANALOGUE APPROACH
[Please provide information for all of the points below. Indicate if further information is included as attachment to the same record, or elsewhere in the dataset (insert links in 'Cross-reference' table)]

1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The target substance Ammonium benzoate and the source substances Benzoic acid, Sodium benzoate, Potassium benzoate dissociate in physiological medium to the common anion benzoate. For assessment of acute toxicity by oral route, information from the source substances can be used to predict the effect of the anion of the target substance ammonium benzoate.

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
Source substance: Benzoic acid, Sodium benzoate, Potassium benzoate. disscussed in the literature document are the substances without considering impurities.
Target Substance: Ammonium Benzoate, the available analytical information does not identify any impurities which may be of concern.
Additionally, the target substance has a high purity

3. ANALOGUE APPROACH JUSTIFICATION
In physiological medium, the target substance will dissociate to yield Benzoic acid/benzoate-anion and Ammonium. With the literature data at hand, an assessment of benzoic acid/benzoate-anion is justified as it is identical to one of the source substances (Benzoic acid) or is a common dissociation product of the source substances (Sodium Benzoate, Potassium Benzoate). For general considerations of the behaviour of the source substances in solution, please refer to the attached document, page 12.

4. DATA MATRIX
please refer to attached document.
Qualifier:
no guideline available
Principles of method if other than guideline:
only Results presented for the analogeous substances Benzoic acid (CAS 65-85-0), Sodium benzoate (CAS 532-32-1), Potassium benzoate (CAS 582-25-2) and Benzyl alcohol (CAS 100-51-6)
GLP compliance:
no
Test type:
standard acute method
Limit test:
no
Specific details on test material used for the study:
no specific details given
Species:
other: rat, mouse and/or guinea pig
Strain:
not specified
Sex:
not specified
Details on test animals or test system and environmental conditions:
no details given
Route of administration:
oral: unspecified
Vehicle:
not specified
Details on oral exposure:
not specified
Doses:
not specified
No. of animals per sex per dose:
not specified
Control animals:
not specified
Details on study design:
not specified
Statistics:
not specified
Sex:
not specified
Dose descriptor:
LD50
Remarks:
Benzoic acid, rat
Effect level:
ca. 2 565 mg/kg bw
Based on:
not specified
Sex:
not specified
Dose descriptor:
LD50
Remarks:
Benzoic acid, mouse
Effect level:
ca. 2 250 mg/kg bw
Based on:
not specified
Sex:
not specified
Dose descriptor:
LD50
Remarks:
Sodium benzoate, rat
Effect level:
ca. 3 140 mg/kg bw
Based on:
not specified
Sex:
not specified
Dose descriptor:
LD50
Remarks:
Sodium benzoate, rat
Effect level:
ca. 4 070 mg/kg bw
Based on:
not specified
Sex:
not specified
Dose descriptor:
LD50
Remarks:
Benzyl alcohol, rat
Effect level:
ca. 1 610 mg/kg bw
Based on:
not specified
Sex:
not specified
Dose descriptor:
LD50
Remarks:
Benzyl alcohol, rat
Effect level:
ca. 2 080 mg/kg bw
Based on:
not specified
Sex:
not specified
Dose descriptor:
LD50
Remarks:
Benzyl alcohol, mouse
Effect level:
ca. 1 580 mg/kg bw
Based on:
not specified
Sex:
not specified
Dose descriptor:
LD50
Remarks:
Potassium benzoate, rat
Effect level:
>= 10 000 mg/kg bw
Based on:
not specified
Sex:
not specified
Dose descriptor:
LD50
Remarks:
Potassium benzoate, mouse
Effect level:
>= 10 000 mg/kg bw
Based on:
not specified
Sex:
not specified
Dose descriptor:
LD50
Remarks:
Potassium benzoate, guinea pig
Effect level:
>= 10 000 mg/kg bw
Based on:
not specified
Mortality:
not specified
Clinical signs:
other: not specified
Gross pathology:
not specified
Other findings:
not specified
Interpretation of results:
study cannot be used for classification
Conclusions:
The analogeous source substances Benzoic acid, Sodium benzoate and Potassium benzoate have LD50 values > 2000. Therefore it can be concluded that the benzoate anion present in Ammonium benzoate is of less concern for the endpoint acute toxicity by oral route.
Endpoint:
acute toxicity: oral
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Study period:
2018
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Read across approach with Software tool
Justification for type of information:
REPORTING FORMAT FOR THE CATEGORY APPROACH
[Please provide information for all of the points below addressing endpoint-specific elements that were not already covered by the overall category approach justification made available at the category level. Indicate if further information is included as attachment to the same record, or elsewhere in the dataset (insert links in 'Cross-reference' table)]

1. HYPOTHESIS FOR THE CATEGORY APPROACH (ENDPOINT LEVEL)
The target substances can be characterised and catagorised as Benzoates (OECD HPV Chemical Categories). Data obtained from a category using this characterisation can be used to fill data gaps for the target substance.

2. CATEGORY APPROACH JUSTIFICATION (ENDPOINT LEVEL
Database(s) used:
- ECHA CHEM
Category boundaries (applicability domain):
- Active descriptor(s) range:
- log Kow: from -2.27 to 2.37 target chemical is in domain
- Response range:
- LD50: from 930 to 3.45E+03 mg/kg bdwt
Profilers:
- OECD HPV Chemical Categories (primary
grouping)
target chemical is out of domain
Additional data pruning:
Data inconsistency filter 37 value(s) from 4 chemical(s)
Qualifier:
no guideline available
Principles of method if other than guideline:
in silico tool for categorisation of chemicals and prediction of endpoints used.
GLP compliance:
no
Test type:
other: in silico tool for categorisation
Limit test:
no
Specific details on test material used for the study:
in silico study, SMILES:
[N+H4].[O-]C(=O)c1cc
ccc1
Species:
other: various
Strain:
not specified
Sex:
not specified
Details on test animals or test system and environmental conditions:
Guinea pig, Mouse, Mouse and rat, Rabbit, Rat;
Route of administration:
oral: unspecified
Vehicle:
not specified
Details on oral exposure:
not specified
Doses:
not specified
No. of animals per sex per dose:
not specified
Control animals:
not specified
Details on study design:
in silico study, no information on used test data available
Statistics:
not specified
Sex:
not specified
Dose descriptor:
LD50
Effect level:
>= 2 870 mg/kg bw
Based on:
not specified
95% CL:
> -1 500 - < 7 240
Mortality:
not specified
Clinical signs:
other: not specified
Gross pathology:
not specified
Other findings:
not specified
Interpretation of results:
study cannot be used for classification
Conclusions:
The predicted LD50 is 2,87E+03 (from -1,5E+03 to 7,24E+03) mg/kg bw.
Executive summary:

A prediction of the endpoint acute toxicity oral route is done using QSAR Toolbox 4.1.

The predicted LD50 is 2,87E+03 (from -1,5E+03 to 7,24E+03) mg/kg bw.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed
Dose descriptor:
LD50
Value:
825 mg/kg bw
Quality of whole database:
A literature report with test results for Ammonium Benzoate with limited documentation is available.
Additionally data on analogeous substance representing the present cation and anion are available.

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

Justification for choice of Endpoint conclusion and Dose descriptor:

In physiological environment, the substance Ammonium Benzoate dissociates into the metabolites Ammonium and benzoate.

These may further react to Benzoic acid and Ammonia (uncharged).

The analogous substances Benzoic acid, Sodium benzoate and Potassium benzoate, leading to the common metabolite benzoate-anion, have LD50 values > 2000 mg/kg bw.

The analogous substance Ammonium chloride, leading to the common metabolite Ammonium cation, has a LD50 in the range of 1300 to 1410 mg/kg bw (based on the considered information).

As these values are higher i.e. of less toxicity than the reported LD50 values for Ammonium Benzoate, LD50 = 825 mg/kg bw in rats for Ammonium benzoate is chosen as endpoint conclusion.

Although the reported LD50 in mice for Ammonium benzoate is lower (LD50, mice = 235 mg/kg bw), the results in rats are considered more appropriate:

the rat is the standard animal for acute toxicity testing, oral,

When calculating the LD50, rat from LD50, mice based on allometric scaling principles (e.g. Guidance on information requirements and chemical safety assessment Chapter R.8: Characterisation of dose [concentration]-response for human health Reference: ECHA-2010-G-19-EN, Version 2.1, November 2012), following applies:

LD50 (rat, calculated) = LD50 (mouse) * (body weight rat / body weight mouse)^0.75 = 235 mg/kg bw * (0.25 kg /0.03 kg)^0.75 = 1151.5 mg /kg bw

Thus the LD50 value obtained experimentally in mice leads to a similar endpoint conclusion.

Justification for classification or non-classification

In accordance with Regulation EC No. 1272/2008, the information on acute toxicity by the oral route is conclusive. The substance is acute toxic by the oral route and should be classified as Hazard category: acute tox 4.