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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 220-169-6 | CAS number: 2650-30-8
- 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
Surface tension
Administrative data
Link to relevant study record(s)
- Endpoint:
- surface tension
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 10 October 2018
- Reliability:
- 1 (reliable without restriction)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 115 (Surface Tension of Aqueous Solutions)
- GLP compliance:
- no
- Type of method:
- other: Fisher surface tensiometer, Model 20
- Key result
- Surface tension:
- 46.4 other: dynes/cm
- Temp.:
- 23 °C
- Conc.:
- 1.5 vol%
- Key result
- Surface tension:
- 51.9 other: dynes/cm
- Temp.:
- 23 °C
- Conc.:
- 0.8 vol%
- Key result
- Surface tension:
- 65.6 other: dynes/cm
- Temp.:
- 23 °C
- Conc.:
- 0.1 vol%
- Conclusions:
- Surface tension at 1.50% Active (15000 mg/l) is 46.4 dynes/cm
At 1000 mg/l, the value is 65.6 dynes/cm - Endpoint:
- surface tension
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.5 (Surface Tension)
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 115 (Surface Tension of Aqueous Solutions)
- GLP compliance:
- no
- Type of method:
- OECD harmonised ring method
- Specific details on test material used for the study:
- Name: Potassium 3,5,5-trimethylhexanoate
CAS No.: 93918-10-6
Batch No.: PURS151015
Purity: 99.4%
Physical State: solid
Colour: white
Molecular Weight: 196.33 g/mol
Storage Conditions: room temperature
Re-certification Date: 14 October 2016 - Key result
- Surface tension:
- 60 mN/m
- Temp.:
- 20 °C
- Conc.:
- 1 g/L
- Conclusions:
- The test item Potassium 3,5,5-trimethylhexanoate has a surface tension of 60.0 mN/m (concentration = 1 g/l).
- Executive summary:
The surface tension of the test item Potassium 3,5,5-trimethylhexanoate was determined in accordance with the test method A.5. "Surface Tension" as described in the Commission Regulation (EC) No 440/2008 of 30 May 2008 laying down test methods pursuant Regulation (EC) No 1907/2006 of the European Parliament and of the Council on the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), also similar to OECD guideline for testing of chemicals OECD 115. The test item Potassium 3,5,5-trimethylhexanoate has a surface tension of 60.0 mN/m (concentration = 1 g/l).
Referenceopen allclose all
Results– Surface Tension measurements for Cola®Trope INC, Lot 61925C18
% Active | Surface Tension (dynes/cm) | Average | ||
1.50 | 46.3 | 46.6 | 46.2 | 46.4 |
08.0 | 51.7 | 51.9 | 52.1 | 51.9 |
0.10 | 65.5 | 65.3 | 66.0 | 65.6 |
An automatic tensiometer with a built-in evaluation unit was used, which performed the necessary corrections using the Harkins & Jordan method. The values only had to be corrected by the calibration factor determined at water calibration.
For this test the “ring-method” was used. For the quality assurance some measurements were carried out with the tensiometer. The balance in the tensiometer was controlled with a test by means of a nickel weight with 200 mg and 500 mg. The results were within the tolerances. By using the plate method together with n-Hexane it was possible to control the correct function of the instrument. The determined result was in the expected range. The water test – by using the platinum ring – was necessary to achieve the factor for the mathematical correction of the sample result.
The sample was dissolved into water (1 g/l), conditioned for 10 min in an ultrasonic bath and tempered at 20 °C and. Then the automatic measurement was initiated. The practical test performance was based on the in-house test procedure 34N10001.01: “Determination of Surface Tension of aqueous solutions”. Two different solutions with a concentration of 1 g/l where prepared. The surface tension should be measured, if the solutions are in an equilibrium state. The average of 6 single measurements was determined per solution. In this case the total measuring time was more than 15000 s per solution. Solution 1 and 2 were in Equilibrium after approx. 15000 s.
Water calibration:
Arithmetic mean 71.7 mN/m, standard deviation 0.1 mN/m from 6 measurements (theoretical value: 72.6 mN/m -> correction factor 1.0126).
First test solution:
(c= 1.028 g/l), Temp. = 20 °C, rho = 0.998 g/cm3, age of the solution = 1209 min)
Arithmetic mean 59.5 mN/m, standard deviation 0.0 mN/m from 6 measurements
Second test solution:
(c= 1.037 g/l), Temp. = 20 °C, rho = 0.998 g/cm3, age of the solution = 1559 min)
Arithmetic mean 59.0 mN/m, standard deviation 0.0 mN/m from 6 measurements
Arithmetic mean of two test solutions: 59.3 mN/m (± 0.4 mN/m)
Arithmetic mean corrected by calibration factor determined via water calibration: 60.0 mN/m
Description of key information
The product was tested at room temperature, 23°C ± 2°C, and the diluted samples were tested about 30 – 35 minutes after the dilutions were made. From experience, there is no systematic dependence of time on surface tension for this product. At 1g/l, the sodium salt has a surface tension of 65.6 mN/m
The test item Potassium 3,5,5-trimethylhexanoate has a surface tension of 60.0 mN/m (concentration = 1 g/l).
Both salts exhibit very similar results.
Key value for chemical safety assessment
- Surface tension:
- 65.6
- in mN/m at 20°C and concentration in mg/L:
- 1 000
Additional information
Clearly, sodium and potassium 3,5,5-trimethylhexanoateare closely related, being the respective acid and salts. The only difference between the two substances is the alkali metal cation, which generally exhibit similar properties as a salt once associated with an acid, in this case3,5,5-trimethylhexanoic acid.They can therefore be considered together in terms of safety assessment and the K salt has been assessed as being a good read-across substance for the Na salt
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.