4-aminotoluene-3-sulphonic acid

Long-term toxicity to fish

Administrative data

Endpoint:

long-term toxicity to fish

Type of information:

(Q)SAR

Adequacy of study:

other information

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference Type:

other: (Q)SAR

Title:

No information

Author:

ECOSAR v1.00

Year:

2009

Materials and methods

Test material

Test material information

Constituent 1

Reference substance name:

Automatically generated during migration to IUCLID 6, no data available

IUPAC Name:

Automatically generated during migration to IUCLID 6, no data available

Details on test material:

Based on 100% purity

Study design

Test type:

other: Calculation

Results and discussion

Effect concentrations

Dose descriptor:

other: ChV

Effect conc.:

66.351 mg/L

Any other information on results incl. tables

SMILES : O=S(=O)(O)c(c(N)ccc1C)c1

CHEM : Benzenesulfonic acid, 2-amino-5-methyl-

CAS Num: 88-44-8

ChemID1:

ChemID2:

ChemID3:

MOL FOR: C7 H9 N1 O3 S1

MOL WT : 187.21

Log Kow: -0.67 (User entered)

Melt Pt: 312.00 deg C

Wat Sol: 6000 mg/L (measured)

ECOSAR v1.00 Class(es) Found

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

Anilines (Aromatic Amines)-acid

Note: SARs use Entered MW (187.21) instead of SMILES MW (187.21)

Predicted

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

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

--> Acid moeity found: Predicted values multiplied by 10

Anilines (Aromatic Amines)-a: Fish 96-hr LC50 6644.022 *

Anilines (Aromatic Amines)-a: Fish 14-day LC50 1.54e+005 *

Anilines (Aromatic Amines)-a: Daphnid 48-hr LC50 60.311

Anilines (Aromatic Amines)-a: Green Algae 96-hr EC50 157.608

Anilines (Aromatic Amines)-a: Fish           ChV 66.351

Anilines (Aromatic Amines)-a: Daphnid        ChV 2.089

Anilines (Aromatic Amines)-a: Green Algae ChV 117.684

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

Neutral Organic SAR : Fish 96-hr LC50 26204.934 *

(Baseline Toxicity) : Daphnid 48-hr LC50 10949.846 *

: Green Algae 96-hr EC50 1578.389

: Fish ChV 2638.852

: Daphnid ChV 630.742

: Green Algae ChV 350.819

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

enough to measure this predicted effect.

Anilines (Aromatic Amines):

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

For Fish Acute Toxicity Values: 2,3,5,6-Tetrachloroaniline is 19 times

more toxic than predicted by this SAR. Tetrabromoaniline may be more toxic

than predicted by this SAR as well.

For Daphnid and Green Algae Toxicity Values: Tetrachloro- and tetrabrom-

aniline may be 20 times toxic than predicted by this SAR.

N-Substituted anilines are less toxic than predicted by these SARs;

for these compounds, Neutral Organic SARs are used.

ECOSAR v1.00 SAR Limitations:

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

Maximum LogKow: >7.8 (Fish 96-hr LC50, Daphnid 48-h LC50)

Maximum LogKow: >3.7 (Fish 14-day LC50)

Maximum LogKow: >4 (Green Algae 96-hr EC50 and ChV)

Maximum LogKow: >4.3 (Fish ChV)

Maximum LogKow: >2.4 (Daphnid ChV)

Maximum Mol Wt: 1000

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)

Maximum Mol Wt: 1000