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EC number: 933-779-9 | 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018-07-06 to 2018-07-07
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Version / remarks:
- OECD Guidelines for the Testing of Chemicals; Guide 121 Estimation of the Adsorption Coefficient (KOC ) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other: cyanopropyl stationary phase
- Specific details on test material used for the study:
- Test Item Name: Ocimene PQ
Laboratory Master Schedule No. at FumoPrep Ltd.: 4417
Chemical Name: Reaction mass of (Z)-3,7-dimethylocta-1,3,6,-triene and dipentene
Batch/Lot Number: A170524D
CAS Number: 3338-55-4/138-86-3
Appearance: Colorless liquid
Expiry Date: 06 June 2019
Purity: 100% - Radiolabelling:
- no
- Test temperature:
- 55 ºC
- Details on study design: HPLC method:
- The determination is based on the measurement of the retention time of the test item on cyanopropyl stationary phase with methanol:water eluent.
Apparatus
Instrument Type
HPLC-UV instrument Dionex Ultimate 3000 UHPLC
Balance Sartorius-CPA225D
Ultrasonic bath Sonis 10
Micropipette 20 – 200 µL Eppendorf Research
Micropipette 100 – 1000 µL Eppendorf Research
Solutions/mixtures
Blank: The Diluent was injected as blank sample.
Diluent: HPLC water and methanol was mixed in 45:55 (V/V) ratio.
t0 Solution: Approx. 100 mg Urea was weighted with 0.01 mg precision into 10 mL volumetric flask and filled up with Diluent. The solution was mixed well by hand. The concentrations of the urea was approx. 10 mg/mL.
Stock Solution of Reference Standards: Individual stock solutions were prepared from the selected reference standards. Approx. 10 mg reference compounds were weighted with 0.01 mg precision into 10 mL
volumetric flask and filled up with Diluent. The solution was mixed well by hand. The concentrations of the reference substances were approx. 1 mg/mL (cStock).
Reference Solutions: Reference Solutions (one reference standard per solution) was prepared from the Stock Solutions of Reference Standards to identify the compounds in the Reference Mixture. Calculated volume from the stock solutions (VStock) was pipetted into 10 mL volumetric flask (VMix) and filled up to volume with Diluent (cRefSt.).
Reference Mixture-1 and Reference Mixture-2 (containing five reference standards in one solution) were prepared from the Stock Solutions of Reference Standards. Calculated volume from the stock solutions (VStock) was pipetted into 10 mL volumetric flask (VMix) and filled up to volume with Diluent. The concentrations of the reference standards in the Reference Mixture called cRefSt. in the tables below.
Stock Solution of Test Item: Approx. 10 mg test item was accurately weighted by analytical balance into 10 mL volumetric flask and filled up with Diluent and mixed well by hand.
Test Item Solution: 100 µL Stock Solution of Test Item was pipetted into 10 mL volumetric flask, filled up to volume with Diluent and mixed well by hand.
Determination of dead-time: Urea was injected for the determination of dead-time.
Calibration: The reference compounds in the Reference Mixture-1 and Reference Mixture-2 were identified based on the retention times measured in the Reference Solutions. The known log Koc values were figured as a function of calculated log k and linear calibration curve was fitted.
The log Koc of the test item was determined using this calibration curve. - Key result
- Type:
- log Koc
- Value:
- 3.38 dimensionless
- Details on results (HPLC method):
- Urea was injected for the determination of dead-time. The reference compounds in the Reference Mixture-1 and Reference Mixture-2 were identified based on the retention times measured in the Reference Solutions. The known logKOC values were figured as a function of calculated log k and linear calibration curve was fitted. The test item was detected in 1.68 min retention time. The logKOC of the Ocimene PQ is estimated to be 3.38.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The logKOC of the Ocimene PQ is estimated to be 3.38.
- Executive summary:
The log Koc of Ocimene PQ was determined using HPLC according to OECD TG 121. The Log Koc was determined to be 3.38.
Reference
Retention times of the Urea
Component |
tR (min) |
Urea |
0.917 |
0.917 |
|
0.917 |
|
Average |
0.917 |
Retention times (UV) of the reference compounds
Component |
logKOC |
tR-UV (min) |
k |
log k |
Acetanilide |
1.25 |
1.070 |
0.167 |
-0.778 |
1.070 |
0.167 |
-0.778 |
||
1.070 |
0.167 |
-0.778 |
||
Phenol |
1.32 |
1.093 |
0.192 |
-0.717 |
1.090 |
0.189 |
-0.724 |
||
1.090 |
0.189 |
-0.724 |
||
3,5-Dinitrobenzamide |
2.31 |
1.213 |
0.323 |
-0.491 |
1.213 |
0.323 |
-0.491 |
||
1.210 |
0.320 |
-0.496 |
||
Naphthalene |
2.75 |
1.483 |
0.617 |
-0.210 |
1.480 |
0.614 |
-0.212 |
||
1.480 |
0.614 |
-0.212 |
||
1,2,3-trichlorobenzene |
3.16 |
1.667 |
0.818 |
-0.087 |
1.663 |
0.814 |
-0.090 |
||
1.663 |
0.814 |
-0.090 |
||
Pyrazophos |
3.65 |
1.843 |
1.010 |
0.004 |
1.843 |
1.010 |
0.004 |
||
1.840 |
1.007 |
0.003 |
||
Phenanthrene |
4.09 |
2.020 |
1.203 |
0.080 |
2.020 |
1.203 |
0.080 |
||
2.017 |
1.200 |
0.079 |
Summary of regression analysis
Summary Table |
||||||
Regression Statistics |
||||||
r value |
0.9872 |
|||||
r square |
0.9745 |
|||||
Corrected r square |
0.9732 |
|||||
Standard Error |
0.1700 |
|||||
Observations |
21 |
|||||
ANOVA |
||||||
|
df |
SS |
MS |
F |
F significance |
|
Regression |
1 |
21.015 |
21.015 |
727.23 |
1.3116E-16 |
|
Resuidual |
19 |
0.54906 |
0.02890 |
|||
Sum |
20 |
21.56 |
|
|
|
|
|
Coefficient |
SE |
t value |
p value |
Lower |
Upper 95% |
Intercept |
3.6241 |
0.0519 |
69.8947 |
2.215E-24 |
3.516 |
3.733 |
logk |
3.0966 |
0.1148 |
26.9672 |
1.312E-16 |
2.856 |
3.337 |
Component |
tR (min) |
k |
logk |
logKOC |
logKOC-Mean |
Ocimene PQ |
1.683 |
0.835 |
-0.0781 |
3.38 |
3.38 |
1.683 |
0.835 |
-0.0781 |
3.38 |
||
1.683 |
0.835 |
-0.0781 |
3.38 |
Description of key information
The log Koc of Ocimene PQ was determined using HPLC according to OECD TG 121. The Log Koc was determined to be 3.38.
Key value for chemical safety assessment
- Koc at 20 °C:
- 2 398
Additional information
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