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EC number: 203-234-3 | CAS number: 104-76-7
- 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
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- Submittet for publication: 2009-11-13
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: No GLP compliance, no guideline followed
Data source
Reference
- Reference Type:
- publication
- Title:
- Unnamed
- Year:
- 2 010
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Rate coefficients at room temperature for the reaction of 2-ethyl-1-hexanol with OH and NO3 radicals and with Cl atoms have been determined in a 150 L PTFE chamber using GC-FID/SPME and FTIR as detection systems. Rate coefficients for the reaction of 2-ethyl-1-hexanol with OH and NO3 radicals and with Cl
atoms at 298 2 K were determined using a relative rate method. In this technique the disappearance of the substrate 2-ethyl-1-hexanol due to reaction with the reactive species (OH, NO3 or Cl) is measured relative to that of a reference compound, the rate coefficient of which with the reactive species is reliable known. The decay of the substrate from [S]0 at time t = 0 to [S]t at time t, and the simultaneous loss of the reference compound from an initial concentration of [R]0 to [R]t at time t is given by the following equation:
ln([S]0/[S]t) = (kS/kR)*ln([R]0/[R]t)
Thus, a plot of {ln[S]0/[S]t} versus {ln[R]0/[R]t} should be a straight line passing through the origin and the slope gives the ratio of rate coefficients kS/kR.
Quantificaqtion was against the internal standard benzene (low rate coefficients with OH, NO3 and Cl). Each reaction studied was measured relative to the reaction of two reference standards. The decay of the reactant, reference compound and internal standard were monitored by gas chromatography with flame ionization detection (GC-FID, Shimadzu 14A) using a capillary column (30 m 0.32 mm 1 µm, TRACSIL TRB-1701, TEKNOKROMA) of intermediate polarity. All organics were subjected to radiation alone to ensure that photolysis was negligible in all cases and to confirm that unrecognized reactions did not occur in the absence of OH, NO3 or chlorine atom sources.
To test for dark reactions, the precursor of the radical and the organics were kept in the reactor for a certain period of time (8 h) in the absence of photolysis and no significant variation of the chromatographic areas was obtained. The occurrence of secondary chemistry was ruled out on the basis of experiments with different concentrations of the reference and the alcohol which showed consistency in the slopes in all cases (with intercepts at zero). Finally, for each organics
mixture a number of injections (typically 12 or more) of the unreacted mixture was carried out to obtain an estimate of the precision associated with the measurements for use in error analysis. The reproducibility of these measurements also included losses due to the walls of the reaction bag, and it was found that wall losses were not significant.
Using methyl nitrite as OH radical precuser, UV radation with a maximum at 360 nm was used, using H2O2 as OH radical precuser, emission maximum was at 254 nm. - GLP compliance:
- no
Test material
- Reference substance name:
- 2-ethylhexan-1-ol
- EC Number:
- 203-234-3
- EC Name:
- 2-ethylhexan-1-ol
- Cas Number:
- 104-76-7
- Molecular formula:
- C8H18O
- IUPAC Name:
- 2-ethylhexan-1-ol
- Details on test material:
- Purity of 2-ethyl-1-hexanol: 99%
Constituent 1
Study design
- Light source:
- other: 4 fluorescent lamps, type Philips TUV G13 36W
- Light spectrum: wavelength in nm:
- >= 254 - <= 360
Results and discussion
Any other information on results incl. tables
Relative and absolute rate coefficients (k in units of cm^3 molecule^(-1) s^(-1)) for the reaction of 2-ethyl-1-hexanol with OH and NO3 radicals and Cl atoms, and for the reaction of n-butanol with NO3 radical. From the results it was concluded that CH3ONO cannot be used as a precurser for OH radicals in combination with the SPME-FID detection method (but very well for FTIR detection). Therefore, results are given in the tabel but were not used for determination of the rate coefficient.
Reaction |
Reference compound |
kS/kR(± 2σ) |
kS(±2σ) |
2-Ethyl-1-hexanol + OH |
Cyclohexane |
1.203±0.04 |
(0.84±0.30)x10-11 |
(CH3ONO as precursor) |
Octanol |
0.952±0.03 |
(1.37±0.14)x10-11 |
2-Ethyl-1-hexanol + OH |
Cyclohexane |
1.621±0.044 |
(1.13±0.12)x10-11 |
(H2O2as precursor) |
Octanol |
0.645±0.0 |
(0.93±0.09)x10-11 |
2-Ethyl-1-hexanol + OH |
Propene |
0.474±0.008 |
(1.22±0.02)x10-11 |
(CH3ONO as precursor and FTIR) |
Ethene |
1.457±0.031 |
(1.24±0.08)x10-11 |
n-Butanol + NO3 |
Methacrolein |
0.950±0.41 |
(3.14±0.97)x10-15 |
2-Ethyl-1-hexanol + NO3 |
Butanol |
0.940±0.04 |
(2.95±0.92)x10-15 |
|
Methacrolein |
0.926±0.06 |
(2.91±0.92)x10-15 |
2-Ethyl-1-hexanol + Cl |
Cyclohexane |
0.633±0.03 |
(1.94±0.28)x10-10 |
|
Furan |
0.911±0.06 |
(1.82±0.22)x10-10 |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Rate coefficients at room temperature for the reactions of 2-ethyl-1-hexanol with OH and NO3 radicals and with Cl atoms, clearly indicate that reaction with OH is the most relevant degradation process for this compound in the atmosphere. In this case a rate constant of 1.13 x 10^(-11) cm^3/(molecule x s) and an atmospheric lifetime of 24.6 h was determined. The determined rate coefficients are consistent with the expected reactivity given the chemical structure of this compound.
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