Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data is from peer reviewed journal
Justification for type of information:
Data is from peer reviewed journal
Qualifier:
according to guideline
Guideline:
other: refer principle below
Principles of method if other than guideline:
To determine the octanol water partition coefficient of test chemical 3-Octanol (CAS No. 589-98-0)
GLP compliance:
not specified
Type of method:
other: not specified
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material: 3-Octanol
- IUPAC name: Octan-3-ol
- Molecular formula: C8H18O
- Molecular weight: 130.229 g/mole
- Smiles : C([C@@H](CC)O)CCCC
- Inchl: 1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
- Substance type: Organic
- Physical state: Colorless Liquid
Type:
log Pow
Partition coefficient:
2.56
Temp.:
25 °C
Remarks on result:
other: other details not available
Conclusions:
The octanol water partition coefficient log Pow of test chemical 3-octanol (CAS no. 589-98-0) was determined to be 2.56 dimensionless. On the basis of this log Pow value it is concluded that test chemical 3-Octanol is hydrophilic in nature.
Executive summary:

The octanol water partition coefficient  log Pow of test chemical 3-octanol (CAS no. 589-98-0) was determined to be 2.56 dimensionless. On the basis of this log Pow value it is concluded that test chemical 3-Octanol is hydrophilic in nature.

Description of key information

The octanol water partition coefficent  log Pow of test chemical 3-Octanol (CAS no. 589-98-0)  was determined to be 2.73 dimensionless.  On the basis of this partition coefficient value it can be concluded that test chemical 3-Octanol (CAS no. 589-98-0)  is hydrophilic in nature which is also supported by water solubility of test chemical.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.73
at the temperature of:
25 °C

Additional information

Two different studies have been reviewed for partition coefficient endpoint and their results are summarized below.

The first study was done by using different modeling databases ( EPI suite, Danish QSAR, Chemidplus, SRC phyprop, SciFinder 2017) in this study the octanol water partition coefficent  i.e., log Pow of test chemical 3-Octanol (CAS no. 589-98-0)  was determined to be 2.73 dimensionless.  On the basis of this partition coefficient value it can be concluded that test chemical 3-Octanol (CAS no. 589-98-0)  is hydrophilic in nature which is also supported by water solubility of test chemical.

Next study was done from peer reviewed journal chemosphere (1979) in this study the octanol water partition coefficient log Pow of test chemical 3-octanol (CAS no. 589-98-0) was determined to be 2.56 dimensionless.

On the basis of both the studies mentioned above it can be concluded that octanol water partition coefficient of test chemical was in range of 2.56- 2.73 dimensionless. By considering this log Pow value range it is concluded that test chemical 3-Octanol is hydrophilic in nature.