Benzylhydrazine dihydrochloride

Eye irritation

Administrative data

Endpoint:

eye irritation: in vivo

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference Type:

other: Predicted data

Title:

25.12.2012 17:02 [R]: 48.1 "Human Health Hazards#Irritation / Corrosion" for 20570-96-1

Author:

Sustainability Support Services (Europe) AB

Year:

2012

Bibliographic source:

QSAR Toolbox Version 3.0

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other:

Principles of method if other than guideline:

Data is predicted by QSAR toolbox version 3.0

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Benzylhydrazine dihydrochloride

EC Number:

243-887-1

EC Name:

Benzylhydrazine dihydrochloride

Cas Number:

20570-96-1

Molecular formula:

C7H10N2.2ClH

IUPAC Name:

benzylhydrazine dihydrochloride

Details on test material:

Substance name - Benzylhydrazine dihydrochloride
Substance type : organic
Molecular Formula: C7H10N
SMILES:c1(CNN)ccccc1_Cl_Cl

Test animals / tissue source

Species:

rabbit

Test system

Vehicle:

unchanged (no vehicle)

Controls:

not specified

Duration of treatment / exposure:

1 day

Results and discussion

In vivo

Results

Irritation parameter:

other: The modified maximum average score

Basis:

mean

Time point:

other: 1 day

Score:

48.1

Reversibility:

not specified

Remarks on result:

other: Cause slight irritation

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: MMAS
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

((("a" and ("b" and ( not "c") ) ) and "d" ) and ("e" and "f" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(CNN)ccccc1_Cl_Cl
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Schiff base formation OR Schiff base formation >> Schiff base formation with carbonyl compounds OR Schiff base formation >> Schiff base formation with carbonyl compounds >> Aldehydes OR SN2 OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> alpha-haloalkanes by Protein binding by OASIS v1.1

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as High (Class III) AND Low (Class I) by Toxic hazard classification by Cramer (original)

Domain logical expression index: "e"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.532

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.73

Applicant's summary and conclusion

Interpretation of results:

slightly irritating

Remarks:

Migrated information 48.1 Criteria used for interpretation of results: EU

Conclusions:

The modified maximum average score (MMAS) from QSAR eye irritation score of Benzylhydrazine dihydrochloride was estimated as 48.1

Executive summary:

The modified maximum average score (MMAS) from QSAR eye irritation score of Benzylhydrazine dihydrochloride was estimated as 48.1.Based on this score Benzylhydrazine dihydrochloride was found to be slightly irritating to the eye of rabbit and thus will be considered for classification in category 2 level as per the C & L regulation. This is also supported by the fact that the 80 % structurally similar read across substance has eye irritation effect on animals as well.