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EC number: 211-064-6 | CAS number: 628-97-7
- 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
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- read-across based on grouping of substances (category approach)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Read-across category
- Justification for type of information:
- see attached document in section 0 "Categories" and section 13 "Assessment reports" for justification and rationale for the category approach.
- Type of method:
- other: READ-ACROSS
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- > 0.007 - < 0.013 Pa
- Conclusions:
- Two members of the category, the isopropyl myristate (CAS 110 -27 -0) and the isopropyl palmitate (CAS 142 -91 -6) show experimental vapor pressures (at 25°C) of 0.0125 Pa and 0.00745 Pa respectively. Since it is known that the vapor pressure decreases with the increase of the number of carbon, and taking into account the fact that the target substance, Ethyl Palmitate, with its 18 carbons is surrounded by the isopropyl myristate (17 carbons) and by the isopropyl palmitate (19 carbons), it can be anticipated that Ethyl Palmitate has a vapor pressure between 0.0125 Pa and 0.00745 Pa at 25°C.
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Justification for type of information:
- Data from Database EPISUITE
- Principles of method if other than guideline:
- No more details available, data from Database
- Type of method:
- other: Data from Database
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0.003 Pa
- Remarks on result:
- other: value extrapolated
- Conclusions:
- The experimental vapor pressure of Ethyl Palmitate is 0.00312 Pa at 25 °C, extracted from EPISUITE database.
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- See "Any other information on materials and methods incl. tables"
- Principles of method if other than guideline:
- Calculation with use of SPARC online calculator v 4.5, self interaction physical process models for estimation of saturated vapour pressure.
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0.007 Pa
Referenceopen allclose all
Table 1: Results from key studies performed on the source substances of the category
Common name |
CAS |
Fatty acid chain length |
Type of alcohol |
MW |
Appareance |
Vapour pressure |
Isopropyl myristate |
110-27-0 |
C14 |
Isopropanol |
270,46 |
Liquid |
Experimental result: 0.01246 Pa at 25 °C |
Isopropyl palmitate |
142-91-6 |
C16 |
Isopropanol |
298.51 |
Liquid |
Experimental |
Ethyl linoleate |
544-53-4 |
C18:2 |
ethanol |
308,5 |
Liquid |
no data |
Ethyl oleate |
111-62-6 |
C18:1 |
ethanol |
310.52 |
Liquid |
(Q)SAR: |
Fatty acids, C16-18, butyl esters |
85408-76-0 |
C16-18 |
Butanol |
312.53 – |
Paste |
(Q)SAR: |
Fatty acids, C16-18 and C18-unsatured, isobutyl esters |
84988-79-4 |
C16-18, |
Isobutanol |
312.53 – |
Liquid |
(Q)SAR: |
Isopropyl isostearate |
68171-33-5 |
C18iso |
Isopropanol |
326.56 |
Liquid |
(Q)SAR: |
The physical-chemical properties of the category members are similar or follow a regular pattern over the category. Two members of the category, the isopropyl myristate(CAS 110 -27 -0) and the isopropyl palmitate (CAS 142 -91 -6) show experimental vapor pressures (at 25°C) of 0.0125 Pa and 0.00745 Pa, respectively. Since it is known that the vapor pressure decreases with the increase of the number of carbon, and taking into account the fact that the target substance, Ethyl Palmitate, with its 18 carbons is surrounded by the isopropyl myristate(17 carbons) and by the isopropyl palmitate (19 carbons), it can be anticipated that Ethyl Palmitate has a vapor pressure between 0.0125 Pa and 0.00745 Pa at 25°C. The mean of these 2 experimental values, which is 0.0099 Pa at 25°C represents the vapor pressure of Ethyl Palmitate. For the other members of the category, the vapor pressures are calculated with the SPARC online calculator v 4.5 and the calculated values decrease with the increase of the total number of carbon. They show low vapor pressures, < 0.001 Pa at 20°C.
QSAR result; transition/decomposition is not specified/reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".
Description of key information
The vapor pressure of Ethyl Palmitate is 0.00998 Pa at 25°C.
Key value for chemical safety assessment
- Vapour pressure:
- 0.01 Pa
- at the temperature of:
- 25 °C
Additional information
Justification and rationale of the category approach for Ethyl palmitate
The category group covers alcohol linked to fatty acid chains unsatured and satured, via an ester function. This category includes mono-constituent chemicals and UVCB substances with varying acid chain lengths (from C14 to C18) and alcohol types (ethanol, isopropanol, butanol and isobutanol). This approach was performed in order to provide sufficient information for physicochemical, ecotoxicological and toxicological characterizations of the ethyl palmitate. Based on structural and physic-chemicals similarities, available experimental studies from source chemicals could be used for the target substance ethyl palmitate.
This category group includes:
- Isopropyl myristate CAS 110-27-0
- Isopropyl palmitate CAS 142-91-6
- Ethyl linoleate CAS 544-35-4
- Ethyl oleate CAS 111 -62-6
- Fatty acids, C16 -18, butyl esters CAS 85408-76-0
- Fatty acids, C16 -18 and C18-unsatured isobutyl esters CAS 84988-79-4
- Isopropyl isostearate CAS 68171-33-5
- Target substance : Ethyl palmitate CAS 628-97-7
Summary of available studies on source substances for the vapor pressure determination.
Two of the category members, the Fatty acids C14 Isopropanol and the Fatty acids C16 Isopropanol, whose composition surrounds the target substance, have been tested for their vapor pressure at 25°C. The following values 0.01246 Pa and 0.00745 Pa were obtained respectively. These two experimental values fulfill the decrease of the vapor pressure when the alkyl chain increases. So it is expected that the vapor pressure of "Ethyl palmitate" will be between these two values and it can be logically represented by 0.00998 Pa at 25°C, which is the mean of these two values.
For the other members of the categories with higher molecular weights the vapor pressures calculated with SPARC are all < 0.001 Pa at 20°C
This value of 0.00998 Pa based on the category approach for the vapor pressure estimation of Ethyl Palmitate is in the same order of magnitude as the calculated value of 0.0075 Pa obtained with SPARC online calculator v 4.5, and as the experimental value of 0.00312 Pa at 25°C extracted from EPISUITE database.
Conclusion
According to the Regulation (EC) NO. 1907/2006, Annex XI, 1.5, a Read-Across Category for "Long Chain Fatty Acid (from C14 to C18) and short chain alcohol esters (from C2 to C4) " was performed in order to provide information on Ethyl Palmitate.
This category was based on common and shared properties as:
- common functional group,
- common precursors and the likelihood of common impurities resulting from common process of manufacturing,
- chemically structurally similar breakdown products obtained via the same biological processes into the organisms, and
- constant pattern in the changing of the potency of the properties across the category.
Based on the vapor pressure obtained for the category members, it can be deduced that the target substance Ethyl Palmitate has a vapor pressure of 0.00998 Pa at 25°C. This estimated vapor pressure was supported by the vapor pressure calculated with SPARC and by an experimental value extracted from the EPISUITE database which are all in the same order of magnitude. The value of 0.00998 Pa at 25°C is selected as the representative vapor pressure of "Ethyl palmitate" taking into account the category approach and using the weight of evidence analysis of the available results.
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