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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 205-360-4 | CAS number: 139-41-3
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- October 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Calculated values based on a computer programme.
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- EPISUITE software
KOWWIN Program (v1.69) - GLP compliance:
- no
- Type of method:
- other: calculation
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- -6.06
- Temp.:
- 25 °C
- Remarks on result:
- other: The substance is within the applicability domain of the model.
- Conclusions:
- The estimated log Kow for DHEGNa is -6.06.
- Executive summary:
DHEGNa is not expected to be susceptible to bioaccumulation.
The estimated log Kow for DHEGNa is - 6.06
Reference
Output from the EPISUITE software
KOWWIN Program (v1.69) Results:
Log Kow(version 1.69 estimate): -6.06
SMILES : O([Na])C(=O)CN(CCO)CCO
CHEM : Glycine, N,N-bis(2-hydroxyethyl)-, monosodium salt
MOL FOR: C6 H12 N1 O4 Na1
MOL WT : 185.16
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+--------
Frag | 5 | -CH2- [aliphatic carbon] | 0.4911 | 2.4555
Frag | 2 | -OH [hydroxy, aliphatic attach] |-1.4086 | -2.8172
Frag | 1 | -N< [aliphatic attach] |-1.8323 | -1.8323
Frag | 1 | -C(=O)O [ester, aliphatic attach] |-0.9505 | -0.9505
Factor| 1 | Multi-alcohol correction | 0.4064 | 0.4064
Factor| 1 | C(=O)-O-{Na,K,Li} [coef*(1+0.5*(NUM-1))]|-3.5500 | -3.5500
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+--------
Log Kow = -6.0591
Description of key information
The estimated log Kow for DHEGNa is - 6.06 ( KOWWIN Program (v1.69))
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -6.06
- at the temperature of:
- 25 °C
Additional information
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.
