1-phenylethanol

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species, other

Remarks:

aquatic organisms

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 and PubChem authoritative database

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

Environmental bioconcentration factor of the test substance 1-phenylethan-1-ol was estimated using a measured water solubility and a regression-derived equation.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (IUPAC name): 1-phenylethan-1-ol
- Common name: alpha-methylbenzyl alcohol
- Molecular formula: C12H12O
- Molecular weight: 122.166 g/mol
- Smiles notation: c1(ccccc1)C(C)O
- InChl: 1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
- Substance type: Organic
- Physical state: Liquid

Radiolabelling:

not specified

Vehicle:

not specified

Test organisms (species):

other: aquatic organisms

Route of exposure:

aqueous

Test type:

not specified

Water / sediment media type:

natural water: freshwater

Test temperature:

25°C

Reference substance (positive control):

not specified

Details on estimation of bioconcentration:

BASIS FOR CALCULATION OF BCF
- Result based on measured water solubility of: 1950 mg/l

Type:

BCF

Value:

9 dimensionless

Basis:

whole body w.w.

Calculation basis:

other: BCF value of test chemical 1-phenylethan-1-ol was estimated using a water solubility 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 1-phenylethan-1-ol was determined to be 9 dimensionless.

Executive summary:

The bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical 1-phenylethan-1-ol (CAS no. 98-85-1). The bioaccumulation factor (BCF) value was calculated using a measured water solubility of 1950 mg/l at 25°C and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of 1-phenylethan-1-ol was determined to be 9 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 1-phenylethan-1-ol is considered to be non-accumulative in aquatic organisms.

Description of key information

The bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical 1-phenylethan-1-ol (CAS no. 98-85-1) (HSDB and PubChem, 2017). The bioaccumulation factor (BCF) value was calculated using a measured water solubility of 1950 mg/l at 25°C and a regression-derived equation. The estimated BCF (bioaccumulation factor) valueof1-phenylethan-1-ol was determined to be 9 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 1-phenylethan-1-olis considered to be non-accumulative in aquatic organisms.

Key value for chemical safety assessment

BCF (aquatic species):

9 dimensionless

Additional information

Experimental study and various predicted data for the target compound 1-phenylethan-1-ol (CAS No. 98-85-1) were reviewed for the bioaccumulation end point which are summarized as below:

 

In an experimental key study from authoritative databases (HSDB and PubChem, 2017), bioaccumulation experiment was conducted for estimating the BCF (bioaccumulation factor) value of test chemical 1-phenylethan-1-ol (CAS no. 98-85-1). The bioaccumulation factor (BCF) value was calculated using a measured water solubility of 1950 mg/l at 25°C and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of 1-phenylethan-1-ol was determined to be 9 dimensionless.

 

In aprediction done using theBCFBAF Programof Estimation Programs Interface (from peer reviewed journal A.M. Api et. al., 2017 and modelling databases, 2018) was used to predict the bioconcentration factor (BCF) of test chemical 1-phenylethan-1-ol (CAS no. 98-85-1).The bioconcentration factor (BCF) of 1-phenylethan-1-ol was estimated to be 2.23 L/kg whole body w.w (at 25 deg C).

 

Using Bio-concentration Factor module (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)), Bio-concentration Factor of the test substance 1-phenylethan-1-ol (CAS no. 98 -85 -1) was estimated to be 6.61, 6.59, 6.37 and 4.81 dimensionless at pH range 1-11, 12, 13 and 14, respectively.

 

On the basis of above results for target chemical 1-phenylethan-1-ol (from peer reviewed journal, authoritative databases HSDB, Pubchem, EPI suite and ACD lab database,2017), it can be concluded that the BCF value of test substance 1-phenylethan-1-ol ranges from 2.23 – 9 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 1-phenylethan-1-olis not expected to bioaccumulate in the food chain.