Dimethyl maleate

Long-term toxicity to fish

Administrative data

Endpoint:

long-term toxicity to fish, other

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

other information

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Accepted calculation method

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2009

Report date:

2009

Materials and methods

Principles of method if other than guideline:

ECOSAR v1.00

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Dimethyl maleate

EC Number:

210-848-5

EC Name:

Dimethyl maleate

Cas Number:

624-48-6

Molecular formula:

C6H8O4

IUPAC Name:

dimethyl (Z)-but-2-enedioate

Details on test material:

- Name of test material (as cited in study report): dimethyl maleate
- Analytical purity: not applicable
SMILES : O=C(OC)C=CC(=O)OC
CHEM : 2-Butenedioic acid (Z)-, dimethyl ester
MOL FOR: C6 H8 O4
MOL WT : 144.13

Test organisms

Test organisms (species):

other: Fish, not specified by ECOSAR

Study design

Total exposure duration:

30 d

Results and discussion

Effect concentrations

Duration:

30 d

Dose descriptor:

other: ChV

Effect conc.:

0.694 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

not specified

Remarks on result:

other: originally expressed as 0.694 ppm

Any other information on results incl. tables

SMILES :O=C(OC)C=CC(=O)OC

CHEM  : 2-Butenedioic acid (Z)-,dimethylester

CAS Num: 000624-48-6

ChemID1:

ChemID2:

ChemID3:

MOL FOR: C6 H8 O4

MOL WT : 144.13

LogKow: 0.22 (Userentered)

MeltPt: -19.00degC

Wat Sol: 6.74E+004 mg/L (measured)

 

ECOSAR v1.00Class(es) Found

------------------------------

Acrylates

                                                                   Predicted

ECOSAR Class                Organism           Duration EndPt  mg/L (ppm)

=========================== ================== ======== ======  ==========

Acrylates                 : Fish                             96-hr    LC50       5.567

Acrylates                 :Daphnid                       48-hr    LC50      20.643

Acrylates                 : Green Algae                 96-hr    EC50       2.014

Acrylates                 : Fish                             30-day   ChV        0.694

Acrylates                 :Daphnid                          ChV        1.897 !

Acrylates                 : Green Algae                              ChV        0.720

Acrylates                 :Fish (SW)                   96-hr    LC50       2.308

Acrylates                 :MysidShrimp (SW)  96-hr    LC50       4.375

Acrylates                 :Fish (SW)                                 ChV        0.248 !

Acrylates                  :MysidShrimp (SW)                  ChV        0.749 !

 

=========================== ================== ======== ======  ==========

Neutral Organic SAR       : Fish               96-hr    LC50    3561.927

(Baseline Toxicity)       :Daphnid            48-hr    LC50    1657.429

                          : Green Algae                    96-hr    EC50     344.222

                          : Fish                                              ChV      351.701

                           :Daphnid                                       ChV      111.746

                          : Green Algae                                 ChV       90.009

 

 Note: * = asterisk designates: Chemical may not be soluble

       enoughto measure this predicted effect.

 

 Note: != exclamation designates: The toxicity value was determined from

    apredicted SAR using established acute-to-chronic ratios and ECOSAR

    regressiontechniques which are documented in the supporting Technical

    Reference Manual.When possible, this toxicity value should be

    consideredin a weight of evidence approach.

 

Acrylates:

---------

 For Fish,DaphnidandMysidShrimp Acute Toxicity Values: If the logKow

of the chemical is greater than 5.0, or if the compound is solid and the LC50

exceedsthe water solubility by 10X, no effects at saturation are predicted

fortheseendpoints.

 

 For Green Algae Acute Toxicity Values: If the logKowof the chemical is

greaterthan 6.4, or if the compound is solid and the EC50 exceeds the water

solubilityby 10X, no effects at saturation are predicted for these endpoints.

 

 For All Chronic Toxicity Values: If the logKowof the chemical is greater

than 8.0, or if the compound is solid and theChVexceeds the water solubility

by 10X, no effects at saturation are predicted for these endpoints.

 

ECOSAR v1.00 SAR Limitations:

----------------------------

MaximumLogKow: 5.0 (LC50)

MaximumLogKow: 6.4 (EC50)

MaximumLogKow: 8.0 (ChV)

Maximum Mol Wt: 1000

 

Baseline Toxicity SAR Limitations:

---------------------------------

MaximumLogKow: 5.0 (Fish 96-hr LC50;DaphnidLC50)

MaximumLogKow: 6.4 (Green Algae EC50)

MaximumLogKow: 8.0 (ChV)

Maximum Mol Wt: 1000

 

 

 

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