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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study without detailed documentation
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
not specified
GLP compliance:
not specified
Type of method:
HPLC method
Remarks:
HPLC-UV
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Miramer M1142 = Ethoxylated-o-phenylphenol acrylate (CAS Number: 72009-86-0), Mw = 268g/mol (C17H16O3).
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.68
Remarks on result:
other: Experimental Log POW HPLC (MSC)
Key result
Type:
log Pow
Partition coefficient:
4.224
Remarks on result:
other: Calculated Log POW (ECOSAR) with CAS number
Details on results:
Ethoxylated-o-phenylphenol acrylate (Miramer M1142) (Lot # 160607M97) is a mono-constituent product. For the major component, Log POW value is 3.680 (94.1% of total base peak area). For the minor components, Log POW values are between 1.174 and 5.857.

 

MiramerM1142(#Lot160607M97)

 

Retention time (minutes)

 

LogPOW

 

Area(%)

 

o-Phenylphenolethylacrylate

 

6.623

 

3.680

 

94.1

 

Component2

 

2.470

 

1.174

 

0.03

 

Component3

 

4.302

 

2.584

 

1.41

 

Component4

 

4.464

 

2.678

 

1.63

 

Component5

 

15.611

 

5.857

 

1.91

 

Product

 

Experimental LogPOW HPLC (MSC)

 

Calculated LogPOW (ECOSAR) with CASnumber

MiramerM1142

=o-Phenylphenolethylacrylate

 

3.680 (94.1%)

 

4.224
Conclusions:
Biphenyl-2-ol, ethoxylated, esters with acrylic acid (Miramer M1142) was submitted to the High Performance Liquid Chromatography with UV detection for the determination of partition coefficient in n-octanol/ Water (Log POW) according to OECD 117 method. LogPOW was determined experimentally for the mono-constituent product (94.1%) to be 3.680 and calculated to be 4.224 using ESCOSAR.
Executive summary:

Biphenyl-2-ol, ethoxylated, esters with acrylic acid (Miramer M1142) was submitted to the High Performance Liquid Chromatography with UV detection for the determination of partition coefficient in n-octanol/ Water (Log POW) according to OECD 117 method. LogPOW was determined experimentally for the mono-constituent product (94.1%) to be 3.680 and calculated to be 4.224 using ESCOSAR.

Description of key information

Biphenyl-2-ol, ethoxylated, esters with acrylic acid (Miramer M1142) was submitted to the High Performance Liquid Chromatography with UV detection for the determination of partition coefficient in n-octanol/ Water (Log POW) according to OECD 117 method. LogPOW was determined experimentally for the mono-constituent product (94.1%) to be 3.680 and calculated to be 4.224 using ESCOSAR.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.68

Additional information