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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
data is from experimental reports
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Principles of method if other than guideline:
The water solubility determination of test item 3'-nitroacetophenone (CAS No. 121-89-1) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101
GLP compliance:
not specified
Type of method:
flask method
Specific details on test material used for the study:
Name of test material (as cited in study report): 3 nitro acetophenone
Molecular formula : C8H7NO3
Molecular weight: 165.147 g/mol
Smiles notation : c1(cc(ccc1)[N+](=O)[O])C(C)=O
InChl : 1S/C8H7NO3/c16(10)73248(57)9(11)12/h25H,1H3
Substance type: Organic
Physical state: Solid
Key result
Water solubility:
862.68 mg/L
Conc. based on:
test mat.
Temp.:
30 °C
Remarks on result:
other: no additional details mentioned

Sample stirring time (hours)

Concentration obtained on the basis of standard curve (mg/l)

Dilution factor

Solubility value obtained (mg/l)

24

-

-

-

48

2.0646

400

825.84

72

2.2488

400

899.52

Considering the water solubility for 48 hrs and 72 hrs the mean water solubility was calculated as follows:

Mean water solubility value for 48 hour run sample + 72 hour run sample

=(825.84+899.52)/2

=862.68 mg/L

Conclusions:
The water solubility determination of test item 3'-nitroacetophenone [CAS No.121-89-1] was done by spectrophotometric method. The water solubility was determined to be 862.68 mg/L at 30°C.
Executive summary:

The water solubility determination of test item 3'-nitroacetophenone (CAS No. 121-89-1) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 3'-nitroacetophenone (CAS: 121-89-1 ) in water was determined to be 862.68 mg/L at 30°C.

Description of key information

The water solubility determination of test item 3'-nitroacetophenone (CAS No. 121-89-1) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of (3'-nitroacetophenone of 121-89-1 )in water wasdetermined to be 862.68 mg/L at 30°C.

Key value for chemical safety assessment

Water solubility:
862.68 mg/L
at the temperature of:
30 °C

Additional information

The water solubility determination of test item 3'-nitroacetophenone (CAS No. 121-89-1) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of (3'-nitroacetophenone of 121-89-1 )in water wasdetermined to be 862.68 mg/L at 30°C.

Data from authoritative databases and handbooks suggests that the estimated water solubiltiy fo 3 nitroacetophenone at 25 deg C was 750 mg/l.

WSKOW v1.42 was used to estimate the water solubility of 3 nitroacetophenone. The estimated water solubility of 3 nitroacetophenone at 25 deg C was 1618 mg/l..

These values indicate that 3 nitroacetophenone is soluble in water.