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Physical & Chemical properties

Partition coefficient

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Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
10-05-2017 - 10-05-2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard test guidelines
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Test Item Name : 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
CAS No. : 509-34-2
Batch No./ Lot no. : KCP/FS/42/17
Physical Appearance : pinkish red powder
Date of manufacturing : 2017-01-03
Date of expiry : 2017-12-02
Purity : not available in coa
Stability : Stable in recommended storage conditions
Storage Conditions : Ambient Temp (23 to 27 °C)
Molecular formula : C28-H30-N2-O3
Molecular weight : 442.556
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.649
Temp.:
25 °C
pH:
7.14

Test substance

 

K

Log k

Log Pow by Generalized Calibration

Graph

Mean of Log Pow ± S.D.

tR1

3.859

3.294

0.517

3.687

3.649± 0.054

tR2

3.676

3.090

0.490

3.611
Conclusions:
The partition coefficient(n-octanol/water) of test substance 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No. 509-34-2)was
determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 3.649 ± 0.054 at 25°C.
Executive summary:

The partition Coefficient n-octanol/water of 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one(CAS No.509-34-2) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared . The reference substances were Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, Triphenylamine, Nitrobenzene, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene Diphenyl ether, Allyl phenyl ether having Pow value ranging from 1.9 to 4.6 The Log Pow value was found to be 3.649 ± 0.054 at 25°C.

Description of key information

The partition coefficient(n-octanol/water) of test substance 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one (CAS No. 509-34-2)was

determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 3.649 ± 0.054 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.649
at the temperature of:
25 °C

Additional information

The partition Coefficient n-octanol/water of 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one(CAS No.509-34-2) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared . The reference substances were Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, Triphenylamine, Nitrobenzene, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene Diphenyl ether, Allyl phenyl ether having Pow value ranging from 1.9 to 4.6 The Log Pow value was found to be 3.649 ± 0.054 at 25°C.