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Physical & Chemical properties

Partition coefficient

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Description of key information

Conclusions regarding the partition coefficient of Decanoic acid, mixed esters with dipentaerythritol, octanoic acid and valeric acid (EC # 270-470-1) (Hatcol 1106) are based on read across from analogue substances of a known category (notified under Directive 67/548/EEC (NONS) in 2003/2004 via the UK Competent Authority). The log Pow for Decanoic acid, mixed esters with dipentaerythritol, octanoic acid and valeric acid shall be considered as > 6.7.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.7
at the temperature of:
25 °C

Additional information

All members of the category have high partition coefficients (n-octanol/water), expressed as log Kow, due to their hydrophobic nature. Based on structural similarities of the substance of interest and the members of the category it was concluded that it was justified to apply read-across for the partition coefficient/behaviour of Decanoic acid, mixed esters with dipentaerythritol, octanoic acid and valeric acid. Thus, the partition coefficient Kowof EC# 270-470-1 is > 5011873, which corresponds with a log Kowof > 6.7.     

 

In order to give an indication of the possible log Kowof substance EC# 270-470-1, this property was calculated for the components in Hatcol 1106 which are present for more than 10 % (w/w) based on GC-FID analysis, i.e. three hexa-esters of dipentaerythrithol with MW of 801, 843 and 871.

Calculation was performed using EPI Suite 4.0. The stated log Kowvalues (calc) were estimated with KOWWIN Program (v1.67).

 

EC #

451-070-8

451-120-9

230-743-8

453-470-8

452-270-8

453-480-2

444-000-2

270-470-1

CAS #

70693-33-3

156559-00-1

7299-99-2

70851-05-7

-

70851-04-6

70693-38-8

68441-66-7

Avg MW

525

537

640

783

883

1012

1023

833

Partition Coefficient (log Kow)

>6.7*

>6.7*

read-across:

> 6.7

>6.2

at 40 °C

≥7.0

≥6.9

≥7.0

read-across:

> 6.7

Partition Coefficient (log Kow) (calc)

Tri : 8.19

Tetra : 10.67

-

12.34

10.84

-

18.70

-

see separate table

* = value based on limit of quantification, i.e. limit of water solubility

 

 

Hexa-ester 5xC4, 1xC7

hexa-ester 4xC4, 2xC7

Hexa-ester 4x C4, 1x C7, 1x C9

Calculated MW

801

843

871

Estimated log Kow

11.33

12.80

13.79