Registration Dossier
Registration Dossier
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EC number: 218-250-6 | CAS number: 2093-20-1
Short-term toxicity to fish
Administrative data
- Endpoint:
- short-term toxicity to fish
- 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:
- 2-(2-hydroxyethoxy)ethyl acetate
- EC Number:
- 218-250-6
- EC Name:
- 2-(2-hydroxyethoxy)ethyl acetate
- Cas Number:
- 2093-20-1
- Molecular formula:
- C6H12O4
- IUPAC Name:
- 2-(2-hydroxyethoxy)ethyl acetate
- Test material form:
- liquid
- Details on test material:
- CAS-Nr.: 2093-20-1
SMILES: OCCOCCOC(=O)C
MOL FOR: C6 H12 O4
MOL WT : 148,16
Constituent 1
Results and discussion
Effect concentrations
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- > 100 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
Any other information on results incl. tables
- Sublethal observations / clinical signs:
ECOSAR Version 1.11 Results Page
SMILES : OCCOCCOC(=O)C
CHEM :
CAS Num: 002093-20-1
ChemID1:
MOL FOR: C6 H12 O4
MOL WT : 148.16
Log Kow: -0.875 (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: (deg C, PhysProp DB exp value for Wat Sol estimate)
Wat Sol: 1E+006 (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: -0.875 (EPISuite Kowwin v1.68 Estimate)
Wat Sol: 1E+006 (mg/L, EPISuite WSKowwin v1.43 Estimate)
--------------------------------------
ECOSAR v1.11 Class-specific Estimations
--------------------------------------
Esters
Predicted
ECOSAR Class Organism Duration End Pt mg/L (ppm)
=========================== ================== ======== ====== ==========
Esters : Fish 96-hr LC50 945.870
Esters : Daphnid 48-hr LC50 2674.971
Esters : Green Algae 96-hr EC50 1795.226
Esters : Fish ChV 130.116
Esters : Daphnid ChV 4181.254
Esters : Green Algae ChV 180.944
Esters : Fish (SW) 96-hr LC50 1715.958
Esters : Mysid 96-hr LC50 6959.155
Esters : Fish (SW) ChV 146.582
Esters : Mysid (SW) ChV 1.79e+008 *
Esters : Earthworm 14-day LC50 16324.187
=========================== ================== ======== ====== ==========
Neutral Organic SAR : Fish 96-hr LC50 46491.027
(Baseline Toxicity) : Daphnid 48-hr LC50 20243.309
: Green Algae 96-hr EC50 5031.605
: Fish ChV 3322.627
: Daphnid ChV 943.043
: Green Algae ChV 729.574
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)
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
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
