2-benzylideneheptanal

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Justification for type of information:

Data is from HSDB authoritative database

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

Determination of environmental bioconcentration factor of the test substance (2E)-2-(phenylmethylidene)heptanal in fish using a log Kow and a regression derived equation.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material: (2E)-2-(phenylmethylidene)heptanal
- Molecular formula: C14H18O
- Molecular weight: 202.2952 g/mol
- Smiles notation: c1(\C=C(\CCCCC)C=O)ccccc1
- InChl: 1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11-
- Substance type: Organic
- Physical state: Liquid

Radiolabelling:

not specified

Vehicle:

not specified

Test organisms (species):

other: Fish

Route of exposure:

aqueous

Test type:

not specified

Water / sediment media type:

natural water: freshwater

Reference substance (positive control):

not specified

Details on estimation of bioconcentration:

BASIS FOR CALCULATION OF BCF
- Result based on calculated log Pow of: 4.70

Key result

Type:

BCF

Value:

586 dimensionless

Basis:

whole body w.w.

Calculation basis:

other: BCF value of (2E)-2-(phenylmethylidene)heptanal was estimated using an estimated log Kow of 4.70 and a regression derived equation.

Remarks on result:

other: Other details not known

Validity criteria fulfilled:

not specified

Conclusions:

The estimated BCF (bioaccumulation factor) of test chemical (2E)-2-(phenylmethylidene)heptanal in fish was determined to be 586 dimensionless.

Executive summary:

The bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (2E)-2 -(phenylmethylidene)heptanal (CAS no. 122-40-7). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 4.07 and a regression derived equation. The BCF (bioaccumulation factor) value of (2E)-2 -(phenylmethylidene)heptanal was determined to be 586 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical (2E)-2 -(phenylmethylidene)heptanal is considered to be non-accumulative in aquatic organisms.

Description of key information

The bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (2E)-2 -(phenylmethylidene)heptanal (CAS no. 122-40-7). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 4.07 and a regression derived equation. The BCF (bioaccumulation factor) value of (2E)-2 -(phenylmethylidene)heptanal was determined to be 586 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical (2E)-2 -(phenylmethylidene)heptanal is considered to be non-accumulative in aquatic organisms.

Key value for chemical safety assessment

BCF (aquatic species):

586 dimensionless

Additional information

Experimental study and various predicted data for the target compound (2E)-2 -(phenylmethylidene)heptanal (CAS No. 122-40-7) and various supporting studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

In an experimental key study from authoritative database (HSDB, 2017), bioaccumulation experiment in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (2E)-2 -(phenylmethylidene)heptanal (CAS no. 122-40-7). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 4.07 and a regression derived equation. The BCF (bioaccumulation factor) value of (2E)-2 -(phenylmethylidene)heptanal was determined to be 586 dimensionless.

 

In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical (2E)-2-(phenylmethylidene)heptanal (CAS No. 122 -40 -7). The bioconcentration factor (BCF) of (2E)-2-(phenylmethylidene)heptanal was estimated to be 334 L/kg whole body w.w (at 25 deg C).

 

SciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical (2E)-2-(phenylmethylidene)heptanal (CAS No. 122 -40 -7). The bioconcentration factor (BCF) of (2E)-2-(phenylmethylidene)heptanal was estimated to be 1200 (at 25 deg C).

 

In a supporting study from authoritative database (HSDB, 2017) for the read across chemical Benzaldehyde (CAS no. 100-52-7), bioaccumulation experiment in fish was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical benzaldehyde. The bioaccumulation factor (BCF) value was calculated using a log Kow of 1.48 and a regression derived equation. The BCF (bioaccumulation factor) value of benzaldehyde was determined to be 4.4 dimensionless.

 

Another bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical (2E)-3 -phenylprop-2 -enal (CAS no. 104 -55 -2) (HSDB, 2017). The bioaccumulation factor (BCF) value was calculated using a log Kow of 1.9 and a regression derived equation. The BCF (bioaccumulation factor) value of (2E)-3 -phenylprop-2 -enal was determined to be 8 dimensionless.

 

In a supporting study from authoritative database (J-CHECK, 2017) for the read across chemical 4-butylbenzaldehyde (CAS no. 1200-14-2), bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of substance 4 -butylbenzaldehyde under static conditions. Test chemical nominal conc. used for the study were 0.05 mg/l and 0.005 mg/l (w/v), respectively. Range finding study involve the TLm (48 hr) 64.2 mg/l on Rice fish (Oryzias latipes). Lipid content of the test organism was determined to be 3.8%.The bioconcentration factor (BCF value) of substance 4 -butylbenzaldehyde on Cyprinus carpio was determined to be < 2.4 L/Kg at a conc. of 0.05 mg/l and < 24 L/Kg at a conc. of 0.005 mg/l, respectively.

 

On the basis of above results for target chemical(2E)-2-(phenylmethylidene)heptanal(from authoritative database HSDB, EPI suite and Scifinder,2017) and for its read across substance (from authoritative database HSDB and J-CHECK, 2017), it can be concluded that the BCF value of test substance(2E)-2-(phenylmethylidene)heptanal ranges from 586 – 1200 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical (2E)-2-(phenylmethylidene)heptanal is not expected to bioaccumulate in the food chain.