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EC number: 202-334-4 | CAS number: 94-46-2
Water solubility
Administrative data
Link to relevant study record(s)
- 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 Isopentyl Benzoate (CAS No. 94-46-2) was done as per the OECD guideline and 105 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): Isopentyl Benzoate
- Molecular formula: C12H16O2
- Molecular weight : 192.256 g/mol
- Smiles notation: c1(C(OCCC(C)C)=O)ccccc1
- InChl : 1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
- Substance type: organic
- Physical state: Liquid - Key result
- Conc. based on:
- test mat.
- Temp.:
- 30 °C
- Remarks on result:
- other: insoluble in water
- Details on results:
- The water solubility determination of test item Isopentyl Benzoate;CAS No.94-46-2 was done by spectrophotometric method. Isopentyl benzoate was determined to be Insoluble in water at 30°C.
Substance is soluble in organic solvent(ACN) but it is insoluble in water. It is reappear while adding water with organic solvent. Hence standard curve cannot be plotted and water solubility also cannot be done - Conclusions:
- The water solubility determination of test item Isopentyl Benzoate [CAS No.94-46-2] was done by spectrophotometric method. Isopentyl benzoate was determined to be Insoluble in water at 30°C.
- Executive summary:
The water solubility determination of test item Isopentyl Benzoate (CAS No. 94-46-2) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. Isopentyl Benzoate (CAS: 94-46-2 ) was determined to be Insoluble in water at 30°C.
Reference
Description of key information
The water solubility determination of test item Isopentyl Benzoate (CAS No. 94-46-2) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. Isopentyl Benzoate (CAS: 94-46-2 ) was determined to be Insoluble in water at 30°C.
Key value for chemical safety assessment
Additional information
The water solubility determination of test item Isopentyl Benzoate (CAS No. 94-46-2) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. Isopentyl Benzoate (CAS: 94-46-2 ) was determined to be Insoluble in water at 30°C.
Data from various authoritative databases and handbooks suggest that the estimated water solubility of isopentyl benzoate at 25 deg C was 13.7 mg/l.This value indicates that isopentyl benzoate is slightly soluble in water.
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