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EC number: 674-192-5 | CAS number: 4912-58-7
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental starting date: 31 July 2016 Experimental completion date: 12 October 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-ethoxy-4-(hydroxymethyl)phenol
- EC Number:
- 674-192-5
- Cas Number:
- 4912-58-7
- Molecular formula:
- C9H12O3
- IUPAC Name:
- 2-ethoxy-4-(hydroxymethyl)phenol
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- Information as provided by the Sponsor. The Certificate of Analysis provided by the Sponsor is presented as.
Identification: EVA
Common name: ETHYLVANILLYL ALCOHOL, White Vanilla
CAS Number: 4912-58-7
CAS Name: Benzenemethanol, 3-ethoxy-4-hydroxy-
Chemical Name: 2- Ethoxy-4-(hydroxymethyl)phenol
Appearance/Physical state: Pale yellow powder
Batch: 4K0001
Purity: 100%
Expiry date: 31 December 2017
Storage conditions: Room temperature in the dark
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- Pow
- Partition coefficient:
- 5.05
- Temp.:
- 22 °C
- pH:
- >= 6.4 - <= 6.8
- Remarks on result:
- other:
- Details on results:
- Preliminary Estimate
The Log10 Pow was calculated to be: 0.91
The full KOWWIN calculation is presented in the Appendix 2 found in the "Attached background material" section below.
Definitive Test
Typical chromatography is presented in the Appendix 3 found in the "Attached background material" section below.
Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 140 to 560 mg/L for organic matrix, 140 to 700 mg/L for aqueous matrix. The results were satisfactory with a correlation coefficient (r) of 1.000 (organic and aqueous) being obtained.
Any other information on results incl. tables
Definitive Test
The mean peak areas obtained for the standard, stock and sample solutions are shown in the following two tables:
Organic Phase
Solution |
Mean peak area |
Standard 353 mg/L |
3.6006 x 107 |
Standard 359 mg/L |
3.6603 x 107 |
Organic phase matrix blank |
None detected |
Sample 1 |
3.6083 x 107 |
Sample 2 |
3.6388 x 107 |
Sample 3 |
4.6549 x 107 |
Sample 4 |
4.7175 x 107 |
Sample 5 |
4.3858 x 107 |
Sample 6 |
4.3286 x 107 |
Stock solution A |
5.1934 x 107 |
Stock solution B |
5.1419 x 107 |
Aqueous Phase
Solution |
Mean peak area |
Standard 362 mg/L |
3.7818 x 107 |
Standard 366 mg/L |
3.7178 x 107 |
Aqueous phase matrix blank |
None detected |
Sample 1 |
7.1712 x 107 |
Sample 2 |
7.6269 x 107 |
Sample 3 |
9.9208 x 107 |
Sample 4 |
9.8780 x 107 |
Sample 5 |
8.1191 x 107 |
Sample 6 |
8.1191 x 107 |
The total weights (mg) and analyzed concentration (mg/L) of the respective phases are shown in the following table:
Sample number |
Total weight (mg)* |
Organic phase |
Aqueous phase |
% recovery |
|||
Analyzed concentration (mg/L) |
Weight (mg)+ |
Analyzed concentration (mg/L) |
Weight (mg)+ |
pH |
|||
1 |
28.36 |
7.07 x 102 |
19.8 |
1.39 x 102 |
7.80 |
6.4 |
97.3 |
2 |
28.36 |
7.13 x 102 |
20.0 |
1.48 x 102 |
8.30 |
6.5 |
99.7 |
3 |
52.68 |
9.13 x 102 |
47.5 |
1.93 x 102 |
5.01 |
6.5 |
99.6 |
4 |
52.68 |
9.25 x 102 |
48.1 |
1.92 x 102 |
4.99 |
6.7 |
100.8 |
5 |
40.52 |
8.60 x 102 |
34.4 |
1.58 x 102 |
6.31 |
6.7 |
100.4 |
6 |
38.49 |
8.49 x 102 |
32.3 |
1.57 x 102 |
5.98 |
6.8 |
99.3 |
* From analysis of the stock solution
+ From analysis of the respective phase
pH of n-octanol saturated water: 5.83 Temperature: 22.0 ± 1.0 °C
The partition coefficient determined for each sample is shown in the following table:
Sample number |
Organic/aqueous volume ratio |
Partition coefficient |
Log10Pow |
Mean partition coefficient |
1 |
1:2 |
5.08 |
0.706 |
4.95 |
2 |
4.81 |
0.683 |
||
3 |
2:1 |
4.74 |
0.675 |
4.78 |
4 |
4.82 |
0.683 |
||
5 |
1:1 |
5.45 |
0.737 |
5.42 |
6 |
5.39 |
0.732 |
Mean Pow : 5.05 log10 Pow : 0.702 Pow standard deviation : 0.311
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test item has been determined to be 5.05 at 22.0 ± 1.0 °C, log10 Pow 0.702.
- Executive summary:
The determination was carried out using the shake-flask method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
Conclusion
The partition coefficient of the test item has been determined to be 5.05 at 22.0 ± 1.0 °C, log10 Pow 0.702.
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