Registration Dossier
Registration Dossier
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EC number: 235-795-5 | CAS number: 12738-64-6
Short-term toxicity to aquatic invertebrates
Administrative data
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance is unlikely to cross biological membranes, hence indicating that aquatic toxicity is unlikely to occur
Data source
Materials and methods
Test material
- Reference substance name:
- α-d-Glucopyranoside, β-d-fructofuranosyl, benzoate
- EC Number:
- 235-795-5
- EC Name:
- α-d-Glucopyranoside, β-d-fructofuranosyl, benzoate
- Cas Number:
- 12738-64-6
- Molecular formula:
- C12-H22-O11.x-C7-H6-O2; x=5-8
- IUPAC Name:
- α-d-Glucopyranoside, β-d-fructofuranosyl, benzoate
Constituent 1
Results and discussion
Applicant's summary and conclusion
- Conclusions:
- The QSAR (ECOSAR) estimated aquatic toxicity lies far above the estimated and measured water solubility. Furthermore the substance has a high molecular weight and cannot cross biological membranes. It is therefore concluded that the substance will not be acutely toxic to invertebrates at and below the water solubility.
- Executive summary:
he water solubility of Sucrose benzoate was determined by flask method according to OECD test guideline 105. The water solubility of Sucrose benzoate was determined after four days to be 3 mg/L at 20 °C. The water solubility is dependent on the numbers of benzoate groups attached to the molecule. A molecule with a low number of benzoate groups (1 -2) will have a higher solubility compared to a molecule with a higher number (7 -8) of benzoate groups attached.
The study which was conducted according to OECD guideline 105 is believed to have been conducted with sucrose benzoate with a variant number of benzoate groups attached.
The QSAR calculation for toxicity was conducted for a high number of groups attached (8)
QSAR was calculated based on smiles notation
SMILES : c0ccc(cc0)C(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COC(=O)c4ccccc4)OC(=O)c5ccccc5)OC(=O)c6ccccc6)COC(=O)c7ccccc7)OC(=O)c8ccccc8)OC(=O)c9ccccc9)OC(=O)c1ccccc1
The QSAR (ECOSAR) estimated aquatic toxicity lies far above the estimated and measured water solubility. Furthermore the substance has a high molecular weight and cannot cross biological membranes. It is therefore concluded that the substance will not be acutely toxic to invertebrates at and below water solubility.
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