Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 269-133-1 | CAS number: 68187-89-3
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
From the water surface the hydrolysis products (acyl halides) of acid chlorides, coco will not evaporate into the atmosphere.
Key value for chemical safety assessment
Additional information
Parent compounds:
The parent compounds hydrolyse rapdily in wet environments and form the corresponding acids and HCl.
Hydrolysis products (acyl halides):
The Henry's Law Constant (HLC) was calculated for the uncharged form with the bond estimation method (EPISUITE v4.10; BASF, 2012). Using the method described in the REACH Guidance Document R7a, Appendix R.7.1-2 (pH correction of partition coefficients for ionisable substances, p. 189), this HLC was corrected for the charged molecule at pH 4 - 9 (BASF, 2012). The table below summarises the data:
Hydrolysis product |
CAS no. |
Input parameter |
Corrected HLC * |
||||
HLC * (uncharged) |
pKa** |
pH 4 |
pH 5 |
pH 7 |
pH 9 |
||
Octanoic acid |
124-07-2 |
0.304 |
4.75 |
2.58E-01 |
1.09E-01 |
1.70E-03 |
1.71E-05 |
Decanoic acid |
334-48-5 |
0.535 |
4.75 |
4.54E-01 |
1.93E-01 |
2.99E-03 |
3.01E-05 |
Lauric acid / Dodecanoic acid |
143-07-7 |
0.944 |
4.75 |
8.01E-01 |
3.40E-01 |
5.28E-03 |
5.31E-05 |
Myristic acid / Tetradecanoic acid |
544-63-8 |
1.66 |
4.75 |
1.41E+00 |
5.97E-01 |
9.28E-03 |
9.33E-05 |
Palmitic acid / Hexadecanoic acid |
57-10-3 |
2.93 |
4.75 |
2.49E+00 |
1.05E+00 |
1.64E-02 |
1.65E-04 |
Stearic acid / Octadecanoic acid |
57-11-4 |
5.16 |
4.75 |
4.38E+00 |
1.86E+00 |
2.89E-02 |
2.90E-04 |
* HLC = Henry’s Law Constant in Pa*m³/mol (at 25 °C)
** pKa from SPARC estimation (see chapter 4.21)
As can be deduced from the corrected HLC data, at environmentally relevant pH of 5 - 9 the hydrolysis products will not evaporate into the atmosphere (HLC < 1 Pa*m³/mol). Only at low pH there is a small tendency of the longer-chained molecules to slowly evaporate, but based on measured data (VP/WSol - not shown here) this tendency can be neglected.
In conclusion, the HLC of the charged molecules is expected to be < 1 Pa*m³/mol (pH 5 -9, 25°C). Therefore, significant evaporation of the substance from water is unlikely.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
