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Environmental fate & pathways

Hydrolysis

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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:
Estimated data generated using the EPI Suite model developed by the USEPA.
Qualifier:
according to
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: 1-(3-aminophenyl)urea
- Molecular formula: C7 H9 N3 O
- Molecular weight: 151.168 g/mol
- Smiles notation: O=C(Nc1cccc(N)c1)N
- InChl: 1S/C7H9N3O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,8H2,(H3,9,10,11)
- Substance type: Organic
- Physical state: Solid
Radiolabelling:
not specified
Analytical monitoring:
not specified
Estimation method (if used):
HYDROWIN v2.00
Transformation products:
not specified
Key result
Temp.:
25 °C
DT50:
> 1 yr
Type:
other: estimated
Remarks on result:
other: Other details not known

HYDROWIN Program (v2.00) Results:

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

SMILES : O=C(Nc1cccc(N)c1)N

CHEM :

MOL FOR: C7 H9 N3 O1

MOL WT : 151.17

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

Hydrolyzable Function detected: Urea (Normal)

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

(where R is an alkyl, aromatic carbon or hydrogen substituent(s))

These types of ureas hydrolyze slowly with half-lives generally > 1 year.

Validity criteria fulfilled:
not specified
Conclusions:
The estimated half-life of 1-(3-aminophenyl)urea was estimated to be > 1 year (at 25 deg C), indicating that it 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

1-(3-aminophenyl)urea (CAS No. 25711 -72 -2). The estimated half-life of 1-(3-aminophenyl)urea was estimated to be > 1 year (at 25 deg C), indicating that it 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

1-(3-aminophenyl)urea (CAS No. 25711 -72 -2). The estimated half-life of 1-(3-aminophenyl)urea was estimated to be > 1 year (at 25 deg C), indicating that it not hydrolysable.

Key value for chemical safety assessment

Half-life for hydrolysis:
1 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

1-(3-aminophenyl)urea (CAS No. 25711 -72 -2). The estimated half-life of 1-(3-aminophenyl)urea was estimated to be > 1 year (at 25 deg C), indicating that it not hydrolysable.