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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
3-hydroxy-3'-nitro-2-naphthanilide
EC Number:
205-209-2
EC Name:
3-hydroxy-3'-nitro-2-naphthanilide
Cas Number:
135-65-9
Molecular formula:
C17H12N2O4
IUPAC Name:
3-hydroxy-N-(3-nitrophenyl)-2-naphthamide

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
4.3
Temp.:
23 °C
pH:
> 7.1 - < 7.5

Any other information on results incl. tables

Determination       stock solution       water       test substance       test substance       LogPow

No                             [ml]              [ml]       conc. in octanol       conc. in water

[mg/L]                     [mg/L]

A1                            5                     10       453.3                     0.015                     4.5

A2                            5                     10      457.5                  0.014                       4.5

B1                            10                 10       449.1                     0.020                     4.4

B2                             10               10       457.0                     0.023                      4.3

C1                             20               10       482.1                    0.030                      4.2

C2                             20                10       467.7                  0.035                      4.1

mean                                                                                                                   4.3

HPLC conditions:

Column : Ascentis Express C18 150 mm x 4,6 mm ID, 4.0 μm,

Eluent A : 0.05 mol/L phosphoric acid/acetonitrile 95/5 (v/v)

Eluent B : acetonitrile

Gradient : 0 min 10 % B

: 10 min 90 % B

: 15 min 90 % B

: 15.5 min 10 % B

: 20 min 10% B

Flow rate : 1 ml/min

Temperature : 40 °C

Detector : UV, 254 nm Inj. Volume : 100 μl (water phases) and 5 μl (n-octanol phases)

Recovery rate: 96 - 103%

Applicant's summary and conclusion

Conclusions:
The Log Pow of the substance is 4.3 at 23°C.
Executive summary:

The Partition Coefficient n-octanol/water of the substance was determined according to OECD 107 with the shake flask method and was found to be 4.3 at 23°C.