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EC number: 947-427-7 | CAS number: -
- 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- - Software tool(s) used including version: ACD PERCEPTA, Release 14.0.0 (Build 2726, Nov 2014)
- GLP compliance:
- no
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Vapour pressure calculated for glucose
- Key result
- Test no.:
- #2
- Temp.:
- 20 °C
- Vapour pressure:
- 0.004 Pa
- Remarks on result:
- other: Vapour pressure calculated for cetyl alcohol
- Key result
- Test no.:
- #3
- Temp.:
- 20 °C
- Vapour pressure:
- 0.001 Pa
- Remarks on result:
- other: Vapour pressure calculated for stearyl alcohol
- Key result
- Test no.:
- #4
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Vapour pressure calculated for C16-alkyl monoglucosid
- Key result
- Test no.:
- #5
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Vapour pressure calculated for C18-alkyl monoglucosid
- Key result
- Test no.:
- #6
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Vapour pressure calculated for C16-alkyl diglucosid
- Key result
- Test no.:
- #6
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Vapour pressure calculated for C18-alkyl diglucosid
- Key result
- Test no.:
- #7
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Vapour pressure calculated for C16-alkyl triglucosid
- Key result
- Test no.:
- #8
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Vapour pressure calculated for C18-alkyl triglucosid
- Conclusions:
- The calculated vapour pressure relating to the C16-alkyl and C18-alkyl monoglucoside amounts to 1.0E-12 Pa and 1.0E-13 Pa, respectively. The vapour pressure calculated for the C16-alkyl and C18-alkyl di and triglucosiedes amount to 0 Pa. The highest vapour pressure is expected for the minor constituents cetyl alcohol (0.56%) 0.0032Pa at 20°C and stearyl alcohol (0.64%) 0.000586 Pa at 20°C.
- Executive summary:
The test substance is composed of a number of components. It is therefore not appropriate to determine the vapour pressure by experimental methods. Instead, the vapour pressure was determined for individual reaction products of D-glucose and C16/C18 alkylalcohols by using a calculation method provided by the software ACD PERCEPTA. The calculated vapour pressure at 20 °C relating to the C16-alkyl and C18-alkyl monoglucoside amounts to 1.0E-12 Pa and 1.0E-13 Pa, respectively. The vapour pressure at 20 °C calculated for the C16-alkyl and C18-alkyl di and triglucosiedes amount to 0 Pa.
The highest vapour pressure is expected for the minor constituents cetyl alcohol (0.56%) 0.0032Pa at 20°C and stearyl alcohol (0.64%) 0.000586 Pa at 20°C.
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- - Software tool(s) used including version: EPI Suite-MPBPVP; version v1.43 (September 2010)
- Model(s) used: Modified Grain Method - GLP compliance:
- no
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Calculated value for D-Glucose
- Test no.:
- #2
- Temp.:
- 25
- Vapour pressure:
- 0.001 Pa
- Remarks on result:
- other: Calcualted value for 1-hexadecanol
- Test no.:
- #3
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Calculated value for 1-octadecanol
- Key result
- Test no.:
- #4
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: C16-alkyl monoglucoside
- Key result
- Test no.:
- #5
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Calculated value for C18-alkyl monoglucoside
- Key result
- Test no.:
- #6
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Calculated value for C16-alkyl diglucosid
- Key result
- Test no.:
- #7
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Key result
- Test no.:
- #8
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Test no.:
- #9
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- The calculated vapour pressures @ 25 °C relating to the alkyl glucosides amount to the following values:
C16-alkyl monoglucoside: 8.39E-13 Pa
C18-alkyl monoglucoside: 1.02E-13 Pa
C16-alkyl diglucoside: 3.89E-21 Pa
C18-alkyl diglucoside: 4.27E-22 Pa
C16-alkyl triglucoside: 7.07E-29 Pa
C18-alkyl triglucoside: 9.95E-30 Pa
The highest vapour pressure is expected for the minor constituents cetyl alcohol (0.56%) 0.00119 Pa at 25°C and stearyl alcohol (0.64%) 0.000244 Pa at 20°C. - Executive summary:
The test substance is composed of a number of components. It is therefore not appropriate to determine the vapour pressure by experimental methods. Instead, the vapour pressure was determined for individual reaction products of D-glucose and C16/C18 alkylalcohols by using a calculation method provided by the software EPI Suite_MPBPVP. The calculated vapour pressures @ 25 °C relating to the alkyl glucosides amount to the following values:
C16 -alkyl monoglucoside: 8.39E-13 Pa
C18 -alkyl monoglucoside: 1.02E-13 Pa
C16 -alkyl diglucoside: 3.89E-21 Pa
C18 -alkyl diglucoside: 4.27E-22 Pa
C16 -alkyl triglucoside: 7.07E-29 Pa
C18-alkyl triglucoside: 9.95E-30 Pa
The highest vapour pressure is expected for the minor constituents cetyl alcohol (0.56%) 0.00119 Pa at 25°C and stearyl alcohol (0.64%) 0.000244 Pa at 20°C.
Referenceopen allclose all
Calculated vapour pressures for individual constituents:
Constituent
|
CAS-No. |
Vapour pressure estimated, Pa |
Value from literature |
Glucose |
50-99-7 |
9.3E-7 |
0.0026 Pa[3] |
Cetyl alcohol |
36653-82-4 |
0.00 352 |
6E-6 mmHg (25 °C)[1] |
Stearyl alcohol |
112-92 -5 |
0.000586 |
0.133kPa (1mmHg) at 150.3 °C[2] |
C16-alkyl monoglucoside |
54549-27-8 |
1.0E-12 |
|
C18-alkyl monoglucoside |
27836-65-3 |
1.0E-13 |
|
C16-alkyl diglucoside |
- |
0 |
|
C18-alkyl diglucoside |
- |
0 |
|
C16-alkyl triglucoside |
- |
0 |
|
C18-alkyl triglucoside |
- |
0 |
|
[1]Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
[2] OECD SIDS, 1-Octadecanol, UNEP Publications
[3] V. Oja, E. M. Suuberg, J. Chem. Eng. Data 1999, 44, 26-29
Glucose, literature value of 0.0026 Pa apears to be implausible for the totally dry substance that decomposes at 146 °C: for the high intermolecular interaction forces a much lower vapour pressure can be expected.
Calculated vapour pressure values
Constituent
|
CAS-No. |
Vapour pressure calculated[4]@ 25 °C, [Pa] |
Value from literature |
Glucose |
50-99-7 |
1.78E-5 |
0.0026 Pa[3] |
Cetyl alcohol |
36653-82-4 |
1.19E-3 |
6E-6 mmHg (25 °C)[1] |
Stearyl alcohol |
112-92-5 |
2.44E-4 |
0.133kPa (1mmHg) at 150.3 °C[2] |
C16-alkyl monoglucoside |
54549-27-8 |
8.39E-13 |
|
C18-alkyl monoglucoside |
27836-65-3 |
1.02E-13 |
|
C16-alkyl diglucoside |
- |
3.89E-21 |
|
C18-alkyl diglucoside |
- |
4.27E-22 |
|
C16-alkyl triglucoside |
- |
7.07E-29 |
|
C18-alkyl triglucoside |
- |
9.95E-30 |
|
[1]Daubert, T.E., R.P. Danner.Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
[2] OECD SIDS, 1-Octadecanol, UNEP Publications
[3] V. Oja, E. M. Suuberg, J. Chem. Eng.Data 1999, 44, 26-29
[4]ModifiedGrain Method
Description of key information
In a weight of evidence approach, vapour pressure for the single components of the substance werde calculated with ACD and EPI MPBVP. Results for both methods are similar. In a worst case approach, the slightly higher values from the ACD-QSAR are choosen:
The calculated vapour pressure relating to the C16-alkyl and C18-alkyl monoglucoside amounts to 1.0E-12 Pa and 1.0E-13 Pa, respectively. The vapour pressure calculated for the C16-alkyl and C18-alkyl di and triglucosides amount to 0 Pa. The highest vapour pressure is expected for the minor constituents cetyl alcohol (0.56%) 0.0032Pa at 20°C and stearyl alcohol (0.64%) 0.000586 Pa at 20°C.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 20 °C
Additional information
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