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Physical & Chemical properties

Water solubility

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Administrative data

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 pentyl 2-phenylacetate(CAS No. 5137-52-0) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101.
GLP compliance:
not specified
Type of method:
other: spectrophotometric method
Specific details on test material used for the study:
- Name of test material: pentyl 2-phenylacetate
- Molecular formula: C13H18O2
- Molecular weight: 206.283 g/mole
- Smiles notation: C(=O)(Cc1ccccc1)OCCCCC
- InChl: 1S/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3
- Substance type: Organic
- Physical state: Colorless liquid
- Stability under test conditions: Stable in recommended storage conditions
- Storage condition of test material: Ambient Temp (23 to 27°C) (Store in a cool place. Keep containers tightly closed in a dry and well ventilated place)
Key result
Water solubility:
525.84 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

2.6658

200

533.16

72

2.5926

200

518.52

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

= (533.16+518.52)/2

= 525.84 mg/L

Conclusions:
The water solubility determination of chemical pentyl 2-phenylacetate (CAS No. 5137-52-0) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of ( Pentyl phenylacetate of 5137-52-0)in water was determined to be 525.84 mg/L at 30°C.
Executive summary:

The water solubility determination of chemical pentyl 2-phenylacetate (CAS No. 5137-52-0) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of ( Pentyl 2-phenylacetate of 5137-52-0)in water was determined to be 525.84 mg/L at 30°C.Based on the above value,the test chemical was concluded to be moderately soluble in water.

Description of key information

The water solubility determination of chemical pentyl 2-phenylacetate (CAS No. 5137-52-0) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of ( Pentyl 2-phenylacetate of 5137-52-0)in water was determined to be 525.84 mg/L at 30°C.Based on the above value,the test chemical was concluded to be moderately soluble in water.

Key value for chemical safety assessment

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

Additional information

The water solubility determination of chemical pentyl 2-phenylacetate (CAS No. 5137-52-0) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of ( Pentyl 2-phenylacetate of 5137-52-0)in water was determined to be 525.84 mg/L at 30°C.Based on the above value,the test chemical was concluded to be moderately soluble in water.