Registration Dossier

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Additional information

The substance of interest, i.e. Decanoic acid, mixed esters with dipentaerythritol, octanoic acid and valeric acid (EC# 270-470 -1) shall be proven to have similar physico-chemical properties as structurally related pentaerythrithol and dipentaerythrithol esters of an existing category of which the members were notified under Directive 67/548/EEC (NONS) in 2003/2004.

 

Based on the experimental data obtained for all members of the category, it can be concluded that all substances have similar physico-chemical properties,despite the variation of chain length and the presence of branchedvs. linear fatty acid esters. With an average molecular weight of 833, the substance of interest, i.e.Decanoic acid, mixed esters with dipentaerythritol, octanoic acid and valeric acid (EC# 270-470-1) falls well within the average molecular weight range of the members of the category (525 – 1023).

 

Due to the hydrophobic nature of the substances, solubility in aqueous solutions is very low for all substances, leading to similar partitioning in the environment. Additionally to low water solubility and high log Kow, average molecular weights range from 525 to 1023, and absorption in animals with subsequent systemic exposure is expected to be low. Hence toxicological and eco-toxicological properties for Decanoic acid, mixed esters with dipentaerythritol, octanoic acid and valeric acid (EC# 270-470-1) can be derived directly by read-across from known esters.

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

Melting Point [°C]

< -80.5

< -80.5

9

<-80

-451

-71

-201

< -20

Boiling Point [°C] at atm pressure

dec >350

dec >360

415

reaction/ dec. >180

383

378

dec >170

422

Relative density at 20oC

0.99

0.99

0.962

1.03

1.01

0.98

0.98

1.012

Vapour Pressure [Pa] at 20oC

7.5 E-03

4.5 E-03

3.06E-07

6.4E-03

1.83

0.223

<6E-03

< 1.33 E-08

Vapour Pressure [Pa] at 20oC (calc.)

-

-

 

-

1.3E-02

1.7E-02

-

 

Water Solubility [mg/L]

<0.2*

<0.2*

read-across: < 0.1

<0.1

<0.1

<0.14

<0.0775

read-across: < 0.1

Water Solubility [mg/L] (calc)

Tri-ester: 2.87 E-04

Tetra-ester: 5.84 E-07

-

6.4 E-07

7.87 E-07

-

1.10 E-06

-

Hexa-ester MW 801: 8.01 E-07

Hexa-ester MW 843: 8.43 E-07

Hexa-ester MW 871: 8.71 E-07

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

-

Hexa-ester

MW 801: 11.33

Hexa-ester

MW 843: 12.80

Hexa-ester MW 871: 13.79

Flash point [°C]

120.5

1294

213

223

215

251.5

232

282

Flammability (in contact with water)

no

no

no

no

no

no

no

no

Pyrophoric properties

no

no

no

no

no

no

no

no

Oxidising properties

no

no

no

no

no

no

no

no

Explosive properties

no

no

no

no

no

no

no

no

Auto-ignition temperature [°C]

395

415

w

w

405

w

w

w

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

** = value based on limit of detection

1value for pour point

2density in g/mL at 15 ºC

3These measured values are higher than expected for the dipentaerythritol esters, and probably caused by the small amount of water (≤0.02%) present. The presented calculated vapour pressures of these compounds are based on the measured boiling point

4result of preliminary test; result main test was 196ºC.

Avg MW = Average molecular weight

npc = not possible to calculate

w =waive based on rules of adaptation (column 2) as described in Regulation (EC) No 1907/2006