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Physical & Chemical properties

Water solubility

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Administrative data

Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Estimated value

Data source

Reference
Reference Type:
secondary source
Title:
Water solubility
Author:
WSKOW v1.42
Bibliographic source:
EPISuite v4.11

Materials and methods

Test guideline
Qualifier:
no guideline available
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
(3,4-diethoxyphenyl)acetonitrile
EC Number:
248-479-7
EC Name:
(3,4-diethoxyphenyl)acetonitrile
Cas Number:
27472-21-5
Molecular formula:
C12H15NO2
IUPAC Name:
(3,4-diethoxyphenyl)acetonitrile

Results and discussion

Water solubility
Water solubility:
301.4 mg/L
Temp.:
25 °C

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
The estimated water solubility is 301.4 mg/L.