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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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Environmental fate & pathways

Hydrolysis

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
hydrolysis
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from computational model developed by USEPA
Qualifier:
according to guideline
Guideline:
other: Modeling database
Principles of method if other than guideline:
Data is from HYDROWIN v2.00 of EPI suite
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material (IUPAC name): 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid
- Molecular formula: C12H11NO5S
- Molecular weight: 281.2869 g/mol
- Smiles notation: CC(=O)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O
- InChl: 1S/C12H11NO5S/c1-7(14)13-9-2-3-11-8(4-9)5-10(6-12(11)15)19(16,17)18/h2-6,15H,1H3,(H,13,14)(H,16,17,18)
- Substance type: Organic
- Physical state: Solid
Radiolabelling:
not specified
Analytical monitoring:
not specified
Estimation method (if used):
HYDROWIN v2.00
Positive controls:
not specified
Negative controls:
not specified
Transformation products:
not specified
Key result
pH:
7
Temp.:
25 °C
DT50:
3 950 yr
Type:
other: estimated data
Remarks on result:
other: Other details not known

HYDROWIN Program (v2.00) Results:

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

SMILES : O=C(Nc(ccc(c1cc(S(=O)(=O)O)c2)c2O)c1)C

CHEM : 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-

MOL FOR: C12 H11 N1 O5 S1

MOL WT : 281.28

--------------------------- HYDROWIN v2.00 Results ---------------------------

Hydrolyzable Function detected: Amides

-C-C(=O)-N-C

Half-Live (in years at 25C, pH7)

Acetamide - 3950

Validity criteria fulfilled:
not specified
Conclusions:
The estimated half-life of test chemical 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 3950 years at pH 7 (at 25 deg C), indicating that it is not hydrolysable.
Executive summary:

HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2017) prediction model was used to predict the hydrolysis half-life of test compound 7 -acetamido-4 -hydroxy naphthalene-2 -sulfonic acid (CAS No. 6334 -97 -0). The estimated half-life of 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 3950 years at pH 7 (at 25 deg C), indicating that it is not hydrolysable.

Description of key information

HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2017) prediction model was used to predict the hydrolysis half-life of test compound 7 -acetamido-4 -hydroxy naphthalene-2 -sulfonic acid (CAS No. 6334 -97 -0). The estimated half-life of 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 3950 years at pH 7 (at 25 deg C), indicating that it is not hydrolysable.

Key value for chemical safety assessment

Half-life for hydrolysis:
3 950 yr
at the temperature of:
25 °C

Additional information

HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2017) prediction model was used to predict the hydrolysis half-life of test compound 7 -acetamido-4 -hydroxy naphthalene-2 -sulfonic acid (CAS No. 6334 -97 -0). The estimated half-life of 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 3950 years at pH 7 (at 25 deg C), indicating that it is not hydrolysable.