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Ecotoxicological information

Short-term toxicity to aquatic invertebrates

Administrative data

Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
24 November 2020
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2020
Report date:
2020

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
Default Inout to ECOSAR v 1.11 as follows:
SMILES : O=C(OCC(OC(=O)c(cccc1)c1)COC(=O)c(cccc2)c2)c(cccc3)c3
CHEM : 1,2,3-Propanetriol, tribenzoate
CAS Num: 000614-33-5
ChemID1:
MOL FOR: C24 H20 O6
MOL WT : 404.42
Log Kow: 4.728 (EPISuite Kowwin v1.68 Estimate)
Log Kow: (User Entered)
Log Kow: (PhysProp DB exp value - for comparison only)
Melt Pt: (User Entered for Wat Sol estimate)
Melt Pt: 76.00 (deg C, PhysProp DB exp value for Wat Sol est)
Wat Sol: 1.051 (mg/L, EPISuite WSKowwin v1.43 Estimate)
Wat Sol: (User Entered)
Wat Sol: (PhysProp DB exp value)

GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Glycerol tribenzoate
EC Number:
210-379-6
EC Name:
Glycerol tribenzoate
Cas Number:
614-33-5
Molecular formula:
C24H20O6
IUPAC Name:
1,3-bis(benzoyloxy)propan-2-yl benzoate
Test material form:
solid: flakes
Details on test material:
room temperature: off-white coloured flakes or granulate; > 80 °C: colourless to yellowish liquid
Batch no. 20118
CAS no. 614-33-5
Production date 28. Jul. 2020
Expiry date 15. Aug. 2022

Sampling and analysis

Analytical monitoring:
not required

Test organisms

Test organisms (species):
Daphnia sp.

Results and discussion

Effect concentrations
Key result
Duration:
48 h
Dose descriptor:
EC50
Effect conc.:
2.141 mg/L

Any other information on results incl. tables

ECOSAR Class Organism Duration End Pt mg/L (ppm)

Esters : Daphnid 48-hr LC50 2.141

Neutral Organic SAR : Daphnid 48-hr LC50 0.861

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable