2-cyclohexylidene-2-phenylacetonitrile

Endpoint summary

Key value for chemical safety assessment

Effects on fertility

Link to relevant study records

Reference

Endpoint:

screening for reproductive / developmental toxicity

Remarks:

based on test type (migrated information)

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Data from QSAR Toolbox version 3.3

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

according to guideline

Guideline:

other: refer below principle

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.3

GLP compliance:

no

Limit test:

no

Species:

rat

Strain:

Wistar

Sex:

female

Route of administration:

oral: feed

Type of inhalation exposure (if applicable):

not specified

Vehicle:

unchanged (no vehicle)

Analytical verification of doses or concentrations:

not specified

Duration of treatment / exposure:

2 weeks

Frequency of treatment:

ad libitum

Details on study schedule:

15-16 weeks

Remarks:

Doses / Concentrations:10, 100 and 300,400,500 mg/kg food.Basis:no data

No. of animals per sex per dose:

10 females per dose.

Control animals:

yes, plain diet

Clinical signs:

not specified

Body weight and weight changes:

not specified

Food consumption and compound intake (if feeding study):

not specified

Organ weight findings including organ / body weight ratios:

not specified

Histopathological findings: non-neoplastic:

not specified

Other effects:

not specified

Reproductive function: oestrous cycle:

no effects observed

Reproductive function: sperm measures:

no effects observed

Reproductive performance:

not specified

Dose descriptor:

NOAEL

Effect level:

415.23 mg/kg bw/day (nominal)

Based on:

test mat.

Sex:

female

Basis for effect level:

other: Reproductive function: estrous cycle ,sperm measures and Gross pathology

Clinical signs:

not specified

Mortality / viability:

not specified

Body weight and weight changes:

not specified

Sexual maturation:

not specified

Organ weight findings including organ / body weight ratios:

not specified

Gross pathological findings:

not specified

Histopathological findings:

not specified

Remarks on result:

not determinable

Reproductive effects observed:

not specified

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

(((((((("a" or "b" or "c" or "d" )  and ("e" and ( not "f") )  )  and ("g" and ( not "h") )  )  and "i" )  and "j" )  and ("k" and ( not "l") )  )  and "m" )  and ("n" and "o" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Alkene AND Allyl AND Cycloalkane AND Nitrile by Organic Functional groups

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Allyl AND Cycloalkane AND Nitrile AND Overlapping groups by Organic Functional groups (nested)

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Acetylenic Carbon [#C] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Olefinic carbon [=CH- or =C<] AND Tertiary Carbon by Organic functional groups (US EPA)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as No functional group found by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as No alert found by DNA binding by OECD

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Isocyanates and Isothiocyanates OR Acylation >> Isocyanates and Isothiocyanates >> Isocyanates OR Michael addition OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes by DNA binding by OECD

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Michael addition OR Michael addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes >> Polarised alkene - cyano by Protein binding by OECD

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as No superfragment by Superfragments ONLY

Domain logical expression index: "j"

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

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as No pKa value AND No pKb value by Ionization at pH = 9

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Acidic [60,70) OR Acidic [90,100] OR Basic [0,10) by Ionization at pH = 9

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as Not calculated by Hydrolysis half-life (pH 6.5-7.4) ONLY

Domain logical expression index: "n"

Parametric boundary:The target chemical should have a value of log Kow which is >= 4.08

Domain logical expression index: "o"

Parametric boundary:The target chemical should have a value of log Kow which is <= 5.94

Conclusions:

In screening study by the oral administration of test substance 2-cyclohexylidene-2-phenylacetonitrile to female Wister rat, no effects were observed on Reproductive function: estrous cycle ,sperm measures and Gross pathology at a dose level of 415.230010986 mg/kg bw/day (nominal). The NOAEL for reproductive toxicity study was considered to be 415.230010986 mg/kg bw/day (nominal).

Executive summary:

In screening study by the oral administration of test substance 2-cyclohexylidene-2-phenylacetonitrile to female Wister rat, no effects were observed on Reproductive function: estrous cycle ,sperm measures and Gross pathology at a dose level of 415.230010986 mg/kg bw/day (nominal).

The NOAEL for reproductive toxicity study was considered to be 415.230010986 mg/kg bw/day (nominal).

Effect on fertility: via oral route

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

NOAEL

415.23 mg/kg bw/day

Study duration:

subacute

Species:

rat

Quality of whole database:

Data is K2 level from QSAR Toolbox version 3.3

Effect on fertility: via inhalation route

Endpoint conclusion:

no study available

Effect on fertility: via dermal route

Endpoint conclusion:

no study available

Additional information

Toxicity to reproduction:

In screening study by the oral administration of test substance 2-cyclohexylidene-2-phenylacetonitrile to female Wister rat, no effects were observed on Reproductive function: estrous cycle ,sperm measures and Gross pathology at a dose level of 415.230010986 mg/kg bw/day (nominal).

The NOAEL for reproductive toxicity study was considered to be 415.230010986 mg/kg bw/day (nominal).

Short description of key information:
No reproductive toxicity were observed for test chemical 2-cyclohexylidene-2-phenylacetonitrile by oral route.

Justification for selection of Effect on fertility via oral route:
In screening study by the oral administration of test substance 2-cyclohexylidene-2-phenylacetonitrile to female Wister rat, no effects were observed on Reproductive function: estrous cycle ,sperm measures and Gross pathology at a dose level of 415.230010986 mg/kg bw/day (nominal).
The NOAEL for reproductive toxicity study was considered to be 415.230010986 mg/kg bw/day (nominal).

Justification for classification or non-classification

Based upon CLP criteria for classification of substances and considering data from predicted model QSAR Toolbox version 3.3 , it is concluded that the substance 2-cyclohexylidene-2-phenylacetonitrile is unlikely to exhibit reproductive toxicity.

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