Registration Dossier
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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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: 253-149-0 | CAS number: 36653-82-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Test is comparable to OECD guideline with some experimental differences and was not conducted to GLP.
- Principles of method if other than guideline:
- Method: other (measured): Reverse-phase HPLC with mass spectrometry
- GLP compliance:
- no
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 6.65
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2010-10-09
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Test procedure in accordance with national standard methods (ASTM) without GLP.
- Qualifier:
- according to guideline
- Guideline:
- other: ASTM E 1147
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 6.7
- Remarks on result:
- other: The temperature of the measurement is not reported.
- Executive summary:
Hexadecan-1-ol was determined according ASTM E 1147 . The partition coefficient was determined to be logPow 6.7.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 2009-04-30
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Test procedure in accordance with national standard methods (OECD) without GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 7.3
- Temp.:
- 23 °C
- pH:
- 7.1
- Executive summary:
Hexadecan-1-ol was determined according OECD Guideline 117. The partition coefficient was determined to be logPow 7.3 at 23 °C and a pH of 7.1.
Referenceopen allclose all
Measurement
Log Kow: 6.7
Calibration
For calibration 20 -30 mg of the reference samples and of thio urea (dead time determination) are weighed into a 100 ml volumetric flask and filled up to 100 ml of a methanol-water mixture (80:20). This calibration mixture (L090443) is then analysed by the reported chromatographic conditions.
substances | log Pow | retention time (min.) | capacity factor k | log k |
phenylbenzoate | 3.6 | 2.13 | 0.593 | -0.23 |
diphenyl ether | 4.2 | 2.63 | 0.964 | -0.02 |
dibenzyl | 4.8 | 3.90 | 1.913 | 0.28 |
flouranthene | 5.1 | 4.86 | 2.633 | 0.42 |
triphenylamine | 5.7 | 6.07 | 3.538 | 0.55 |
correlation log k and Pow
slope:2.52
axis intercept:4.17
correlation coefficient:0.991
Measurement
200 -300 mg of the test sample are weighed into a 100 ml volumetric flask and filled up to 100 ml with methanol.
retention time (minutes) for C16:25.36
peak area for C16:73668
capacity factor for C16:17.95
log k for C16:1.25
log POW for C16:7.3
retention time (minutes) for C18:56.55
peak area for C18:192267
capacity factor k for C18:41.26
log k for C18:1.62
log POW for C18:8.2
Description of key information
The octanol-water partition coefficient of hexadecan-1-ol (log Kow) is 6.7.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.7
Additional information
The log partition coefficient of 6.7 was determined in a reliable study.
It is supported by a value of 6.65, taken from a reliable and definitive reference source for partitioning data (Burkhard et al., 1985).
The value taken from literature for pure alcohol is used in exposure modelling.
Discussion of trends in the Category of C6-24 linear and essentially-linear aliphatic alcohols:
As chain length increases, the free energy required for a molecule to dissolve becomes less favourable for larger molecules. The octanol-water partition coefficient increases with molecular weight because each additional -CH2- group makes the octanol phase more preferred over water in terms of relative solvation energy.
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.