4-methoxyphenylacetone

Endpoint summary

Description of key information

Bioaccumulation:aquatic/sediments:

Using BCFBAF Program (v3.00) model of EPI suite (2017) the estimated bio concentration factor (BCF) for 1-(4-methoxyphenyl)acetone (CAS No. 122-84-9) is 4.922 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 1-(4-methoxyphenyl)acetone is non bioaccumulative in food chain.

Additional information

Bioaccumulation:aquatic/sediments:

Different predicted data for target chemical 1-(4-methoxyphenyl)acetone (CAS No. 122-84-9) and two experimental studies for its read across chemicals have been conducted and their results are summarized below

 

The first predicted data study was done by using BCFBAF Program (v3.00) model of Estimation Program Interface suite (2017) the estimated bio concentration factor (BCF) for 1-(4-methoxyphenyl)acetone (CAS No. 122-84-9) is 4.922 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 1-(4-methoxyphenyl)acetone is non bioaccumulative in food chain.

 

Next prediction was done by using Bio-concentration Factor (v12.1.0.50374) module of Advance Chemistry Development (ACD) /I-lab predictive module (2018) in this study the Bio-concentration Factor at range pH 1-14 of the chemical 1-(4-methoxyphenyl)acetone estimated to be 6.30 dimensionless. This value indicates that the chemical 1-(4-methoxyphenyl)acetone is non-bioaccumulative in aquatic organisms as this value does not exceed 2000 criteria.

 

Further the Bioconcentration factor (BCF) for test chemical  1-(4-methoxyphenyl)acetone (CAS No: 122-84-9) was predicted in aquatic organisms by Scifinder database of American Chemical Society (ACS, 2017) at pH 1-10 and temperature 25 °C .The Bioconcentration factor (BCF) of test substance 1-(4-methoxyphenyl)acetone at temperature 25 °C was estimated to be 10.7 dimensionless at pH range 1-14. This BCF value at pH 1-10 and temperature 25 °C suggests that the test chemical 1-(4-methoxyphenyl)acetone is non bioaccumulative in aquatic organisms.

 

Next prediction was done by using Chemspider- ACD/PhysChem Suite of Royal society of Chemistry (2017) in this study the Bioconcentration factor (BCF) of test substance 1-(4-methoxyphenyl)acetone at pH 5.5 and pH 7.4 was estimated to be 8.72 dimensionless. This BCF value suggests that the test chemical 1-(4-methoxyphenyl)acetone is non bioaccumulative in aquatic organisms.

 

Last prediction was done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical)  the bioaccumulation i.e BCF for test substance 1-(4-methoxyphenyl)acetone (CAS no.) was estimated to be 190 dimensionless . The predicted BCF result was based on the 5 OECD principles. Thus based on the result it is concluded that the test substance1-(4-methoxyphenyl)acetone is non-bioaccumulative in nature, because the bioconcentration factor in fish is less than 2000.

 

 In a supporting experimental study the BCF value of read across chemical 1-(4-methoxyphenyl)ethan-1-one (CAS no. 100-06-1) was estimated to be 3.0 dimensionless by using log Kow of 1.74 and recommended regression derived equation from authoritative database (HSDB, 2017) and it is far less than 2000 criteria so it is concluded that read across chemical 1-(4-methoxyphenyl)ethan-1-one is non bioaccumulative.

 

 Next experimental was done from authoritative database (J CHECK, 2017) in this study the Bioaccumulation experiment was performed on test organism Cyprinus carpio for 8 weeks for evaluating the bioconcentration factor (BCF value) of read across substance 1-methoxynaphthalene(CAS no. 2216-69-5). The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively. Cyprinus carpio was used as a test organism for the study. Details on analytical methods involve the recovery ratio: Test water: 1st concentration area: 88.9%, 2nd concentration area: 92.1%, Fish: 81.6%, - Limit of detection: Fish: 0.003 ppm. Tween 80 was used as a vehicle. Read across chemical nominal concentration used for the study were 0.02 mg/l and 0.002 mg/l, respectively. Range finding study involve the TLm (48 hr) 9.5 mg/l (w/v) on Rice fish (Oryzias latipes). Lipid content of the test organism was determined to be 5.4%.The bioconcentration factor (BCF value) of read cross substance 1-methoxynaphthalene on Cyprinus carpio was determined to be 130 and 259 L/Kg at a conc. of 0.02 mg/l and 106 and 221 L/Kg at a conc. of 0.002 mg/L which does not exceed the bioconcentration threshold of 2000, indicating that the read across chemical 1-methoxynaphthalene is not expected to bioaccumulate in the food chain.

 

On the basis of above results for target chemical1-(4-methoxyphenyl)acetone (CAS No. 122-84-9)(From EPI suite, ACD labs, Sci Finder database, CompTox Chemistry Dashboard and ChemSpider, 2017) it can be concluded that the BCF value of test substance1-(4-methoxyphenyl)acetoneranges from 4.922 to 10.7 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical1-(4-methoxyphenyl)acetoneis not expected to bioaccumulate in the food chain.