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EC number: 282-013-3 | CAS number: 84082-68-8 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Myristica fragrans, Myristicaceae.
- 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
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The vapour pressure of the natural complex substances was calculated from the vapour pressures of the known constituents estimated by the QSAR Mpbpwin v.143.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Cross-reference
- Reason / purpose for cross-reference:
- reference to same study
Data source
Reference
- Reference Type:
- other: QSAR model
- Title:
- MPBWIN v1.43
- Author:
- U.S. Environmental Protection Agency
- Year:
- 2 008
- Bibliographic source:
- US EPA. 2009. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.00. United States Environmental Protection Agency, Washington, DC, USA
Materials and methods
- Principles of method if other than guideline:
- This parameter varies as the composition of the mixture changes during evaporation. For Type 1 NCSs with known constituents the “initial” vapour pressure can be calculated as the sum of the partial pressure of the known constituents. Also a range of the vapour pressure can be given. Therefore, the first approach will be a calculation of the vapour pressure based on constituents. The “initial” vapour pressure is calculated as the sum of the partial pressure of the constituents (based on molecular fraction).
- GLP compliance:
- no
- Type of method:
- other: Calculation by estimation
Test material
- Reference substance name:
- Myristica fragrans, ext.
- EC Number:
- 282-013-3
- EC Name:
- Myristica fragrans, ext.
- Cas Number:
- 84082-68-8
- Molecular formula:
- Unspecified (UVCB)
- IUPAC Name:
- Nutmeg Oil (Myristica fragrans, ext.)
- Details on test material:
- - Name of test material (as cited in study report): Nutmeg oil
- Physical state: liquid
Constituent 1
Results and discussion
Vapour pressure
- Temp.:
- 25 °C
- Vapour pressure:
- 379.42 Pa
- Remarks on result:
- other: Initial vapour pressure
Any other information on results incl. tables
Substance |
CAS |
Nutmeg oil% |
Predicted vapour pressure in Pa at 25C |
alpha-Pinene |
80-56-8 |
22.2 |
536 |
Terpinene-4-ol |
562-74-3 |
8.1 |
5.7 |
Sabinene |
3387-41-5 |
15.9 |
981 |
Myristicine |
607-91-0 |
8.4 |
0.861 |
beta-Phellandrene |
555-10-2 |
2.3 |
260 |
alpha-Phellandrene |
99-83-2 |
1.0 |
255 |
beta-pinene |
127-91-3 |
14.2 |
334 |
γ-terpinene |
99-85-4 |
5.7 |
153 |
D-limonene |
5989-27-5 |
3.9 |
193 |
Alpha-Terpinene |
99-86-5 |
3.6 |
222 |
Beta-Myrcene |
123-35-3 |
2.6 |
320 |
Terpinolene |
586-62-9 |
2.2 |
133 |
safrole |
94-59-7 |
1.6 |
8.24 |
delta-3-carene |
13466-78-9 |
1.2 |
279 |
terpineol |
7785-53-7 |
1.2 |
2.62 |
isoeugenol |
97-54-1 |
1.1 |
0.508 |
The sum of the vapour pressures multiplied by the fractions in the mixture is 361 Pa. To correct for the 4.8% unknown constituents (assuming the average vapour pressure for the unknown constituents is similar to tha average vapour pressure of the known constituents), this number is multiplied by 1 / 0.952.
The vapour pressure of the constituents ranges from 0.508 to 981 Pa.
Applicant's summary and conclusion
- Conclusions:
- The initial vapour pressure of nutmeg oil is 379 Pa at 25 degrees Celsius.
- Executive summary:
The initial vapour pressure of Nutmeg oil was estimated by calculation. Vapour pressures for the known constituents were estimated using the QSAR MPBPWIN v 1.43. The sum of the vapour pressures multiplied by the molar fraction of the substance in the NCS was taken as an initial estimate for the vapour pressure of the mixture. The number obtained was then corrected for the unknown constituents (assuming the average vapour pressure for the unknown constituents is similar to the average vapour pressure of the known constituents).
The initial vapour pressure of Nutmeg oil was found to be 379.42 Pa at 25 degrees Celsius (based on molar fraction). The vapour pressure of the constituents ranges from 0.508 to 981 Pa.
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