Registration Dossier
Registration Dossier
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EC number: 211-049-4 | CAS number: 628-68-2
Toxicity to aquatic algae and cyanobacteria
Administrative data
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
ECOSAR V. 1.11, Included in EPI-Suite 4.11
2. MODEL (incl. version number)
ECOSAR V. 1.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS: 628-68-2
SMILES : O=C(OCCOCCOC(=O)C)C
CHEM : Ethanol, 2,2'-oxybis-, diacetate
MOL FOR: C8 H14 O5
MOL WT : 190.20
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Available in the ECOSAR Help.
5. APPLICABILITY DOMAIN
- Descriptor domain: Available in the ECOSAR Help.
- Structural and mechanistic domains: Available in the ECOSAR Help.
- Similarity with analogues in the training set:
Training set see attached documents. Comparable substances in the trainingset:
111-15-9 2-Ethoxyethyl acetate,
141-78-6 Ethyl acetate and several other acetic esters
6. ADEQUACY OF THE RESULT
For the scope of the registration as an intermediate it is not required to make a new study on this endpoint. Together with data from
other sources and with data for similar substances the results of the method are valid and can be used for the classification and labelling
(eco-tox-section) and for risk assessment.
Data source
Reference
- Title:
- EPI-Suite 4.11 - ECOSAR V1.11
- Year:
- 2 012
- Bibliographic source:
- ECOSAR (TM) V. 1.11 by US EPA, included in EPI-Suite 4.11
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6, 2008
- GLP compliance:
- no
Test material
- Reference substance name:
- Oxydiethylene di(acetate)
- EC Number:
- 211-049-4
- EC Name:
- Oxydiethylene di(acetate)
- Cas Number:
- 628-68-2
- Molecular formula:
- C8H14O5
- IUPAC Name:
- 2-[2-(acetyloxy)ethoxy]ethyl acetate
- Test material form:
- liquid
- Details on test material:
- CAS: 628-68-2
SMILES: O=C(OCCOCCOC(=O)C)C
Constituent 1
Study design
- Water media type:
- freshwater
Results and discussion
Effect concentrations
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 456.1 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- not specified
Any other information on results incl. tables
ECOSAR Version 1.11 Results Page
SMILES : O=C(OCCOCCOC(=O)C)C
CHEM : Ethanol, 2,2'-oxybis-, diacetate
CAS Num: 000628-68-2
ChemID1:
MOL FOR: C8 H14 O5
MOL WT : 190.20
Log Kow: 0.130 (EPISuite Kowwin v1.68 Estimate)
Log Kow: (User Entered)
Log Kow: (PhysProp DB exp value - for comparison only)
Melt Pt: 18.00 (deg C, User Entered for Wat Sol estimate)
Melt Pt: 18.00 (deg C, PhysProp DB exp value for Wat Sol est)
Wat Sol: 1.777E+005 (mg/L, EPISuite WSKowwin v1.43 Estimate)
Wat Sol: (User Entered)
Wat Sol: (PhysProp DB exp value)
--------------------------------------
Values used to Generate ECOSAR Profile
--------------------------------------
Log Kow: 0.130 (EPISuite Kowwin v1.68 Estimate)
Wat Sol: 1.777E+005 (mg/L, EPISuite WSKowwin v1.43 Estimate)
--------------------------------------
ECOSAR v1.11 Class-specific Estimations
--------------------------------------
Esters
------------------------------------------------------------------
Note: SARs use Entered MW (190.00) instead of SMILES MW (190.20)
------------------------------------------------------------------
Predicted
ECOSAR Class Organism Duration End Pt mg/L (ppm)
=========================== ================== ========
Esters : Fish 96-hr LC50 313.834
Esters : Daphnid 48-hr LC50 796.960
Esters : Green Algae 96-hr EC50 456.105
Esters : Fish ChV 34.955
Esters : Daphnid ChV 932.931
Esters : Green Algae ChV 63.716
Esters : Fish (SW) 96 -hr LC50 535.342
Esters : Mysid 96 -hr LC50 1322.896
Esters : Fish (SW) ChV 54.806
Esters : Mysid (SW) ChV 4.4e+006 *
Esters : Earthworm 14-day LC50 9924.591
=========================== ================== ========
Neutral Organic SAR: Fish 96-hr LC50 7454.893
(Baseline Toxicity) : Daphnid 48-hr LC50 3561.807
: Green Algae 96-hr EC50 1299.543
: Fish ChV 594.442
: Daphnid ChV 214.844
: Green Algae ChV 231.705
Note: * = asterisk designates: Chemical may not be soluble enough to measure this predicted effect.
If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES)
are reported.
------------------------------
Class Specific LogKow Cut-Offs
------------------------------
If the log Kow of the chemical is greater than the endpoint specific cut-offs
presented below, then no effects at saturation are expected for those endpoints.
Esters:
------
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50)
Maximum LogKow: 6.0 (Earthworm LC50)
Maximum LogKow: 6.4 (Green Algae EC50)
Maximum LogKow: 8.0 (ChV)
Baseline Toxicity SAR Limitations:
---------------------------------
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50)
Maximum LogKow: 6.4 (Green Algae EC50)
Maximum LogKow: 8.0 (ChV)ECOSAR Version 1.11 Results Page
presented below, then no effects at saturation are expected for those endpoints.
Esters:
------
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50)
Maximum LogKow: 6.0 (Earthworm LC50)
Maximum LogKow: 6.4 (Green Algae EC50)
Maximum LogKow: 8.0 (ChV)
Baseline Toxicity SAR Limitations:
---------------------------------
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50)
Maximum LogKow: 6.4 (Green Algae EC50)
Maximum LogKow: 8.0 (ChV)
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
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