Registration Dossier
Registration Dossier
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EC number: 289-296-2 | CAS number: 87061-04-9
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Derived using calculation method software which has been validated for organic substances.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Derived using calculation method software which has been validated for organic substances.
- GLP compliance:
- no
- Type of method:
- other: QSAR calculation
- Sample No.:
- #1
- Type:
- Koc
- Value:
- 88.63 L/kg
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 1.95 dimensionless
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The estimated log Koc of the substance is 1.95.
- Executive summary:
USA's EPA KOCWIN was used to estimate the adsorption/ desorption coeffcitient of the test material.
A measured value of the log Kow was used as an input parameter.
The estimated log Koc of the substance is 1.95.
Reference
SMILES : OCC(COC1C(CCC(C1)C)C(C)C)O
CHEM : 1,2-Propanediol, 3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-
MOL FOR: C13 H26 O3
MOL WT : 230.35
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from Log Kow:
-------------------------
Log Kow (User entered ) ......................... : 3.50
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 2.8611
Fragment Correction(s):
2 Aliphatic Alcohol (-C-OH) ........... : -0.8229
1 Ether, aliphatic (-C-O-C-) .......... : -0.0906
Corrected Log Koc .................................. : 1.9476
Estimated Koc: 88.63 L/kg <===========
Description of key information
The estimated log Koc of the substance is 1.95.
Key value for chemical safety assessment
- Koc at 20 °C:
- 88.63
Additional information
USA's EPA KOCWIN was used to estimate the adsorption/ desorption coeffcitient of the test material.
A measured value of the log Kow was used as an input parameter.
The estimated log Koc of the substance is 1.95.
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.
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