3'-nitroacetophenone

Water solubility

Link to relevant study record(s)

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

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.