[S(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]succinic acid

Toxicity to aquatic algae and cyanobacteria

Link to relevant study record(s)

Reference

Endpoint:

toxicity to aquatic algae and cyanobacteria

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Remarks:

of read across substance

Justification for type of information:

Data for the target chemical is summarized based on the structurally similar read across chemicals

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across source

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

WoE report is based on two toxicity study of aquatic algae and cyanobacteria for the test chemical :
1.Determination of estimated 72 hrs EC50 value of test substance on Pseudokirchneriella subcapitata by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database. It is a continuous (Q)SAR model based on structural features and numeric molecular descriptors.

2.The toxicity efficiency of test material was evaluated for Scenedesmus subspicatus

Specific details on test material used for the study:

- Name of test material: 2,3-bis[(4-methylbenzoyl)oxy]succinic acid
- IUPAC name: (+)-Di-p-toluoyl-D-tartaric Acid
- Molecular formula: C20H18O8
- Molecular weight: 386.3542 g/mole
- Smiles : Cc1ccc(cc1)C(=O)O[C@@H]([C@H](OC(=O)c2ccc(C)cc2)C(=O)O)C(=O)O
- Inchl: 1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22) (H,23,24)/t15-,16-/m0/s1
- Substance type: Organic
- Physical state: Solid powder (white)

Test organisms (species):

Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)

Details on test organisms:

no data available

Test type:

static

Water media type:

freshwater

Total exposure duration:

72 h

Duration:

72 h

Dose descriptor:

EC50

Effect conc.:

23.548 mg/L

Nominal / measured:

not specified

Conc. based on:

test mat.

Basis for effect:

growth rate

Remarks on result:

other: Domain applicability - Battery : I

Duration:

72 h

Dose descriptor:

other: ErC50

Effect conc.:

48.7 mg/L

Nominal / measured:

not specified

Conc. based on:

test mat.

Basis for effect:

growth rate

Duration:

72 h

Dose descriptor:

other: EbC50

Effect conc.:

43.3 mg/L

Nominal / measured:

not specified

Conc. based on:

test mat.

Basis for effect:

biomass

Conclusions:

The test chemical 2,3-bis[(4-methylbenzoyl)oxy]succinic acid is likely to be toxic to algae in the dose concentration of 23.548 - 48.7 mg/l

Executive summary:

Data available for the predicted aquatic toxicity of target and functionally similar read across chemicals has been reviewed to determine the short term toxicity of fish of the test chemical 2,3-bis[(4-methylbenzoyl)oxy]succinic(32634 -68 -7).The studies are as mentioned below:

1.Estimated 72 hrs EC50 value of test substance2,3-bis[(4-methylbenzoyl)oxy]succinic acidon Pseudokirchneriella subcapitata was determined by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database. The average EC50 value was given by the third model i.e, Battery model. Based on inhibition in growth rate of test organism Pseudokirchneriella subcapitata in a static freshwater system, the estimated 72 hrs EC50 value was predicted to be 23.548 mg/l. Thus, on the basis of EC50 value, it can be concluded that the test chemical2,3-bis[(4-methylbenzoyl)oxy]succinic acid can be considered as toxic to green algae at environmentally relevant concentrations and can be considered to be classified in aquatic acute 3 as per the CLP classification criteria.

2. The test material was used to evalute efficiency of toxicity on Scenedesmus subspicatus for 72 h. The effect concentration was observed for growth rate as well as biomass. The 72-hr ErC50 (growth rate) was calculated as 48.7 mg/L and the 72-hr EbC50 (biomass) was calculated to be 43.3 mg/L.

On the basis of above effect concentration test material can be classified as aquatic acute 3

 

Description of key information

Toxicity to aquatic algae and cyanobacteria:

Data available for the predicted aquatic toxicity of target and functionally similar read across chemicals has been reviewed to determine the short term toxicity of fish of the test chemical 2,3-bis[(4-methylbenzoyl)oxy]succinic(32634 -68 -7).The studies are as mentioned below:

1.Estimated 72 hrs EC50 value of test substance2,3-bis[(4-methylbenzoyl)oxy]succinic acidon Pseudokirchneriella subcapitata was determined by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database. The average EC50 value was given by the third model i.e, Battery model. Based on inhibition in growth rate of test organism Pseudokirchneriella subcapitata in a static freshwater system, the estimated 72 hrs EC50 value was predicted to be 23.548 mg/l. Thus, on the basis of EC50 value, it can be concluded that the test chemical2,3-bis[(4-methylbenzoyl)oxy]succinic acid can be considered as toxic to green algae at environmentally relevant concentrations and can be considered to be classified in aquatic acute 3 as per the CLP classification criteria.

2.The test material was used to evalute efficiency of toxicity on Scenedesmus subspicatus for 72 h. The effect concentration was observed for growth rate as well as biomass. The 72-hr ErC50 (growth rate) was calculated as 48.7 mg/L and the 72-hr EbC50 (biomass) was calculated to be 43.3 mg/L.

On the basis of above effect concentration test material can be classified as aquatic acute 3

 

Key value for chemical safety assessment

EC50 for freshwater algae:

23.548 mg/L

Additional information

Toxicity to aquatic algae and cyanobacteria:

Data available for the predicted aquatic toxicity of target and functionally similar read across chemicals has been reviewed to determine the short term toxicity of fish of the test chemical 2,3-bis[(4-methylbenzoyl)oxy]succinic(32634 -68 -7).The studies are as mentioned below:

1.Estimated 72 hrs EC50 value of test substance2,3-bis[(4-methylbenzoyl)oxy]succinic acidon Pseudokirchneriella subcapitata was determined by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database. The average EC50 value was given by the third model i.e, Battery model. Based on inhibition in growth rate of test organism Pseudokirchneriella subcapitata in a static freshwater system, the estimated 72 hrs EC50 value was predicted to be 23.548 mg/l. Thus, on the basis of EC50 value, it can be concluded that the test chemical2,3-bis[(4-methylbenzoyl)oxy]succinic acid can be considered as toxic to green algae at environmentally relevant concentrations and can be considered to be classified in aquatic acute 3 as per the CLP classification criteria.

2.The test material was used to evalute efficiency of toxicity on Scenedesmus subspicatus for 72 h. The effect concentration was observed for growth rate as well as biomass. The 72-hr ErC50 (growth rate) was calculated as 48.7 mg/L and the 72-hr EbC50 (biomass) was calculated to be 43.3 mg/L.

On the basis of above effect concentration test material can be classified as aquatic acute 3