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EC number: 294-461-7 | CAS number: 91722-61-1 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Juniperus mexicana, Cupressaceae.
- 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
Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Toxicokinetic evaluation of Cedarwood Texas oil – crude(CAS#: 91722-61-1) based on existing data
REACH indicates that an “assessment of the toxicokinetic behaviour of the substance to the extent that can be derived from the relevant available information” should be performed at Annex VIII level.
General information
Cedarwood Texas oil - Crude is a substance of Unknown or Variable composition, Complex reaction products or Biological material (UVCB substances), or more specifically a NCS (Natural Complex Substance). As such, the essential oil of Cedarwood Texas obtained from the wood of Juniperus mexicana (Cupressaceae) by distillation.
Name-Constituent |
CAS Number-Constituent |
EC Number-Constituent |
Concentration range % |
Bergamotene alpha (cis + trans) |
17699-05-7 |
241-702-9 |
0.01-1 |
α-Cedrene β-Cedrene |
469-61-4 546-28-1 |
207-418-4 208-898-8 |
1-25 1-8 |
Cedrol |
77-53-2 |
201-035-6 |
16-40 |
Cuparene |
16982-00-6 |
241-061-5 |
0.01-5 |
Thujopsene |
470-40-6 |
207-426-8 |
18-45 |
α-Himachalene β-Himachalene γ-Himachalene |
3853-83-6 1461-03-6 53111-25-4 |
|
0.01-2 0.01-2 0.01-2 |
α-Chamigrene |
19912-83-5 |
|
0.01-4 |
Diepi-alpha-cedrene |
50894-66-1 |
|
0.01-2 |
Widdrol |
6892-80-4 |
|
0.5-5 |
Unknown and other minor consituents |
|
|
0-15 |
ADME data
Absorption, distribution, metabolism and excretion data onCedarwood Texas oil - Crude itself are not available and therefore the toxicokinetic assessment is based on the available toxicology data forCedarwood Texas oil - Crude, as well as data for the main constituents.
Information from physico chemical and toxicity studies
An overview of the relevant physicochemical parameters for Cedarwood Texas oil - Crude is provided below:
|
Cedarwood Texas oil - Crude |
Physical state |
Liquid |
Structure |
UVCB |
Molecular weights |
202.34 - 222.37 g/mol |
Particle size |
Not relevant |
Log Kow |
4.33 - 6.94. 100 % of the identified constituents in the substance log Kow >= 4.0. |
Water solubility (mg/l) |
0.03 - 29.25 mg/L at 25°C. 100 % of the identified constituents in the substance has a water solubility < 100 mg/L. |
Boiling point (°C) |
262.9°C at 1003 ± 5 hPa |
Initial vapour pressure |
3.96 Pa at 25°C. The vapour pressure of the constituents ranges from 0.01 - 9.37 Pa. |
Absorption
Oral: As the molecular weight range of this UVCB is below 500, the molecules in this UVCB are likely to be absorbed via the oral/GI tract. Uptake throughaqueous pores or carriage of such molecules across membranes with the bulk passage of waterin the GI tract can be expected. Furthermore uptake by passive diffusion is likely based on the moderate log Kow values of Cedarwood Texas oil - Crude. The oral absorption of the more highly lipophilic constituents of this UVCB (log Kow > 4) may be more dependent on micellar solubilisation.
Based on the previous,the substancecould be absorbed in the human body via the oral route. This is supported by the findingsin an OECD TG 422 feeding study that was performed with the read across source substance Cedarwood Virginia oil, which contains the same constituents with some variations in their concentration. The source substance induced systemic effects such as nephropathy in male rats. Furthermore, liver effects and reduced T4 levels were observed. These findings confirm that systemic absorption of the constituents of the UVCB via the gastrointestinal tract takes place.
Dermal:No acute dermal toxicity was observed in rabbits exposed to 5000 mg/kg bwCedarwood Texas oil - Crude. Even though it is not a corrosive, the skin irritating propertiesobserved in the OECD TG 439in vitro skin irritation test performed with the read across substance Cedarwood Texas oil - Cedrol suggest that this UVCB may damage the skin and therebyincrease its penetrating potential.Furthermore, sensitisation is also observed for this substance in an OECD TG 429 study, therefore some uptake of (constituents of) this UVCB ought to occur.Based on the physico chemical properties of the substance, its molecular weight would not exclude dermal uptake, and its water solubility and logP value would predict low to moderate absorption of at least a part of its constituents (ECHA guidance, 7.12, Table R.7.12-3).
In order to assess the potential for dermal absorption, the absorption of all components in this UVCB was calculated using the IH Skinperm tool version 2.0. In the model the following input was used as a worst-case, which resulted in the highest dermal absorption:
Instantaneous deposition: 100 mg;
Affected skin area: 1,000 cm2;
Maximum skin adherence: 3 mg/cm2 (due to the high melting points of constituents);
Thickness of stagnant air: 10 cm;
Weight fraction: 1;
Observation time: up to complete absorption (taking into account evaporation);
Calculated intervals: 10,000.
The substance specific input for Skinperm was taken from the QPRF document and Substance Identity Profile. Missing information was taken from reliable sources such as the ECHA substance database, the Gestis substance database, Dohsbase or Chemspider. The following input was used.
Name |
CAS |
Typical conc.(%) |
MW |
Vapour pressure(Pa) |
Water solubility (mg/L) |
Log Kow |
Density(g/mL) |
Melting point |
Max skin adh. (mg/cm2) |
Weighted max. Dermal fraction absorbed |
Bergamotene alpha |
17699-05-7 |
0.60% |
204.36 |
3.69 |
0.27926 |
6.57 |
0.9 |
33.68 |
9 |
0.0080% |
Cedrene alpha |
469-61-4 |
20.00% |
204.36 |
0.0184 |
0.042587 |
5.74 |
0.9 |
43.77 |
9 |
1.4080% |
Cedrene beta |
546-28-1 |
6.80% |
204.36 |
6.08 |
0.032021 |
5.82 |
0.9 |
41.79 |
9 |
0.0135% |
Cedrol |
77-53-2 |
23.00% |
222.37 |
0.0165 |
8.7229 |
4.33 |
1 |
75.52 |
10 |
3.7490% |
Cuparene |
16982-00-6 |
3.50% |
202.34 |
0.773 |
0.50078 |
6.19 |
0.9 |
60.05 |
9 |
0.0101% |
Thujopsene |
470-40-6 |
31.50% |
204.36 |
9.37 |
0.059998 |
6.12 |
1 |
48.5 |
10 |
0.0721% |
Himachalene alpha |
3853-83-6 |
0.90% |
204.35 |
2.8 |
0.54268 |
6.3 |
0.9 |
43.42 |
9 |
0.0116% |
Himachalene beta |
1461-03-6 |
1.00% |
204.35 |
1.47 |
1.1378 |
6.35 |
0.9 |
54.06 |
9 |
0.0195% |
Himachalene gamma |
53111-25-4 |
1.20% |
204.35 |
2.13 |
0.72174 |
6.22 |
0.9 |
44.68 |
9 |
0.0185% |
Chamigrene alpha |
19912-83-5 |
1.50% |
204.35 |
2.28 |
1.0168 |
6.94 |
0.9 |
50.66 |
9 |
0.0309% |
Diepi-alpha-cedrene |
50894-66-1 |
1.23% |
204.35 |
0.0184 |
0.042587 |
5.74 |
0.9 |
106 |
9 |
0.0239% |
Widdrol |
6892-80-4 |
2.00% |
222.37 |
0.00951 |
29.254 |
4.84 |
1 |
78.8 |
10 |
0.6140% |
The weighted permeability of the whole UVCB, calculated using the IH Skinperm tool was 6.41% and this will be used for risk assessment. This number is corrected for the unknown and minor constituents (6.77%) not taken into account in the Skinperm modelling.
Inhalation: The lipophilicity of the main constituents (log Kow >4), and a low water solubility indicate that uptake via the lungs may be mainly via micellular solubilisation. These physico-chemical propertieswould also facilitate absorption directly across the respiratory tract epithelium following aspiration.
Distribution
Distribution of Cedarwood Texas oil - Crude and its major constituents is expected based on their relatively low molecular weights. Also distribution throughout the body would be possible due to the low to moderate water solubility, while the higher Log Kow range also suggests possible distribution into cells. A higher intracellular concentration is expected, especially in fatty tissues. Signs of toxicity and target organs suggest that the substance is at least distributed to the liver and kidney.
Metabolism
No information on metabolism can be derived from the physicochemical data that is available for Cedarwood Texas oil - Crude. No information on metabolism of the UVCB is available from studies, but the main constituents of the UVCB substance Cedarwood Texas oil - Crude; Thujopsene, Cedrol and Cedrene α/β are known to have an (inhibitory) effect on Cytochrome p450 enzyme activities[1]. Hepatic phase 1 metabolism mediated by P450 is therefore a likely mechanism. This is expected to be followed by attachment of the phase II polar groups in the liver before elimination. Hepatic involvement is supported by the liver effects that were observed in the OECD TG 422 read-across study.
Elimination
Based on the systemic renal effects observed in the OECD TG 422 read-across study, excretion is expected to take place though the kidney. This is supported by the relatively low molecular weights. Excretion via bile is not likely, as in the rat it has been found that substances with molecular weights below around 300 do not tend to be excreted into the bile (Renwick, 1994)[2]. Some excretion via breast milk, saliva and sweat is cannot be excluded, as some constituents of the UVCP can be regarded as lipophilic (Log Kow > 4).
Accumulation
There is the potential for the more highly lipophilic constituents of this UVCB (log P >4) to accumulate in individuals that are frequently exposed (e.g. daily at work) to these substances. Once exposure stops, the concentration within the body will decline at a rate determined by the half-life of the substance (Rozman and Klaassen, 1996)[3].
[1]Hyeon-Uk Jeong, Soon-Sang Kwon, Tae Yeon Kong, Ju Hyun Kim & Hye Suk Lee. (2014) Inhibitory Effects of Cedrol, β-Cedrene, and Thujopsene on Cytochrome P450 Enzyme Activities in Human Liver Microsomes. Journal of Toxicology and Environmental Health, Part A Vol. 77 , Iss. 22-24.
[2]Renwick AG (1994) Toxicokinetics - pharmacokinetics in toxicology. In Hayes,A.W. (ed.) Principles and Methods of Toxicology. Raven Press, New York, USA, pp.103.
[3]Rozman KK and Klaassen CD (1996) Absorption, Distribution, and Excretion of Toxicants.In:Klaassen CD (Ed.) Cassarett and Doull's Toxicology: The Basic Science of Poisons. McGraw-Hill, New York, USA.
Data from other studies
|
Cedarwood Texas oil - Crude |
Skin irritation / corrosivity |
Skin irrit. 2 (read across from Cedrol, Cedarwood Texas oil distilled) |
Dermal toxicity data |
Not classified. No symptoms or mortality observed.
|
Oral toxicity data |
Not classified. No symptoms or mortality observed.
|
Skin sensitisation data |
Skin Sens. 1B / H317 (read across from Cedrol, Cedarwood Texas oil distilled) |
Repeated dose toxicity |
Nephropathy in male rats (hyaline droplet accumulation), hepatocellular hypertrophy in female rats.(read across from Cedarwood Virginia oil) |
Conclusion
Oral uptake expected based on information from available studies (acute and repeated dose oral toxicity) and favourable physico chemical parameters. Dermal absorption would be possible based on information from available (read-across) studies and physicochemical parameters. Relatively wide distribution and excretion through urine expected based on low/moderate water solubility and low molecular weight. The absorption values to be used for hazard assessment are 100% for the inhalation route, 50% for the oral route and 6.41% for the dermal route.
[1]Hyeon-Uk Jeong, Soon-Sang Kwon, Tae Yeon Kong, Ju Hyun Kim & Hye Suk Lee. (2014) Inhibitory Effects of Cedrol, β-Cedrene, and Thujopsene on Cytochrome P450 Enzyme Activities in Human Liver Microsomes. Journal of Toxicology and Environmental Health, Part A Vol. 77 , Iss. 22-24.
[1]Renwick AG (1994) Toxicokinetics - pharmacokinetics in toxicology. In Hayes,A.W. (ed.) Principles and Methods of Toxicology. Raven Press, New York, USA, pp.103.
[1]Rozman KK and Klaassen CD (1996) Absorption, Distribution, and Excretion of Toxicants.In:Klaassen CD (Ed.) Cassarett and Doull's Toxicology: The Basic Science of Poisons. McGraw-Hill, New York, USA.
Key value for chemical safety assessment
- Bioaccumulation potential:
- low bioaccumulation potential
- Absorption rate - oral (%):
- 50
- Absorption rate - dermal (%):
- 6.41
- Absorption rate - inhalation (%):
- 100
Additional information
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