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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2017-04 - 2017-08
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Cross-reference
Reason / purpose for cross-reference:
reference to same study
Reference
Endpoint:
relative density
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2017-04 - 2017-08
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 109 (Density of Liquids and Solids)
GLP compliance:
not specified
Type of method:
pycnometer method
Specific details on test material used for the study:
TEST SUBSTANCE: CYASORB® UV-24 Light Absorber
Main component: 2,2`-Dihydroxy-4-methoxybenzophenone CAS# 131-53-3
Molecular formula C14H12O4
Molecular Weight: 244.24 g/mol
Appearance: yellow powder
Type:
density
Density:
1.39 g/cm³
Temp.:
22.7 °C
Type:
relative density
Density:
1.39
Temp.:
22.7 °C

Summary of Density Results, specimen weights, and room temperature during analysis.

Test Substance Specimen No.

Average Density (g/mL)

S.D.

Initial specimen wt (g)

Final sample weight (g)

Temperature (°C)

1

1.3886

0.0008

4.5107

4.5106

22.7

2

1.3887

0.0006

4.7798

4.7798

22.7
Conclusions:
The density of the test item is 1.39 g/cm³ at room temperature.
Executive summary:

The density of 2,2'-Dihydroxy-4 -methoxybenzophenone is 1.39 g/cm³ at 22.7 °C.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Dioxybenzone
EC Number:
205-026-8
EC Name:
Dioxybenzone
Cas Number:
131-53-3
Molecular formula:
C14H12O4
IUPAC Name:
2-(2-hydroxybenzoyl)-5-methoxyphenol
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
TEST SUBSTANCE: CYASORB® UV-24 Light Absorber
Main component: 2,2`-Dihydroxy-4-methoxybenzophenone CAS# 131-53-3
Molecular formula C14H12O4
Molecular Weight: 244.24 g/mol
Appearance: yellow powder

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
2.33
Temp.:
23.5 °C
Remarks on result:
other: pH not measurable (solution in acetronitrile due to very low water solubility)
Type:
Pow
Partition coefficient:
213.39
Temp.:
23.5 °C
Remarks on result:
other: pH not measurable (solution in acetronitrile due to very low water solubility)

Applicant's summary and conclusion

Conclusions:
Initially octanol water partitioning coefficient was analyzed using the flask method (OECD 107). However, the concentration in the aqueous phase was too low for measurement by flask method. Therefore, the HPLC method was used. The provided test substance was found to have a log Pow of 2.33.
Executive summary:

2,2'-Dihydroxy-4 -methoxybenzophenone was measured to have a octanol-water partition coefficient of 2.33.