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EC number: 291-768-8 | CAS number: 90480-35-6
- 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
Key value for chemical safety assessment
Additional information
Absorption
No studies are available that address the absorption of the test substance via the oral, dermal or inhalation route. In general, some preliminary predictions can be made from the substance’s physico-chemical properties. However, it has to be kept in mind that Citrylal is a UVCB substance, consisting of many different chemical constituents. As each of these constituents has different physico-chemical properties, it is impossible to determine an overall toxicokinetic profile for the substance. Instead, the physicochemical properties of the main constituents have been taken into account. Most of the physchem tests performed in the framework of the REACH registration dossier do not provide individual results for the constituents of the UVCB. Therefore, the toxicokinetics assessment is mainly based on QSAR estimations on individual constituents (Episuite).
Oral absorption
Oral absorption can occur along the entire length of the gastro-intestinal tract. For most substances, absorption occurs through passive diffusion. A number of physico-chemical factors determine the extent to which a substance may be absorbed by the oral route. Generally, smaller molecules are more easily absorbed. Furthermore, substances need to be sufficiently water soluble in order to readily dissolve into the gastrointestinal fluids. A moderate log Kow furthermore favors the uptake via passive diffusion. Nevertheless, substances that are more lipophilic might still be absorbed after micellular solubilization.
According to Nielsen et al. (2010), oral absorption is likely for a substance if it has the following properties:
- a molecular weight < 500
- a log Kow between 0 and 4
- water soluble
The constituents of citrylal are assessed in the below table.
Name |
CAS |
MW |
Log Kow |
WS (mg/L) |
Oral absorption |
p-cymene |
99-87-6 |
134.22 |
4.0 |
28 |
Moderate |
ethanol |
64-17-5 |
46.07 |
-0.14 |
7.9E5 |
Moderate |
4-isopropenyltoluene |
1195-32-0 |
132.21 |
3.99 |
35.29 |
Moderate |
terpinoline |
586-62-9 |
136.24 |
4.88 |
9.5 |
Low |
p-mentha-1,5,8-triene |
21195-59-5 |
134.22 |
4.61 |
2.96 |
Low |
geranial |
141-27-5 |
152.24 |
3.45 |
1340 |
High |
1,5-p-menthadien-8-ol |
1686-20-0 |
152.24 |
3.12 |
523 |
High |
p-cymenyl ethyl ether |
68279-51-6 |
178.28 |
3.68 |
40.07 |
Moderate |
alpha-terpineole |
99-86-5 |
136.24 |
4.75 |
5.92 |
Low |
Dermal absorption
Like for oral absorption, physico-chemical factors also determine the extent to which a substance may be absorbed by the dermal route. In order for a substance to cross the stratum corneum, the substance should be sufficiently lipophilic (= sufficient solubility in fat). On the other hand, partitioning from the stratum corneum into the epidermis requires sufficient hydrophilicity (= sufficient solubility in water). Hence, the likelyhood of dermal absorption is determined by the substance's log Kow and water solubility values.
According to Nielsen et al. (2010), dermal absorption is likely for a substance if it has the following properties:
- a vapour pressure < 100 Pa
- a log Kow between 1 and 4
- a water solubility in the range of 1 - 100 mg/L (moderate absorption), or 100 - 10000 mg/L (high absorption).
The constituents of citrylal are assessed in the below table.
Name |
CAS |
VP (Pa) |
Log Kow |
WS (mg/L) |
Dermal absorption |
p-cymene |
99-87-6 |
152 |
4.0 |
28 |
High* |
ethanol |
64-17-5 |
7910 |
-0.14 |
7.9E5 |
Low* |
4-isopropenyltoluene |
1195-32-0 |
99.4 |
3.99 |
35.29 |
Moderate |
terpinoline |
586-62-9 |
133 |
4.88 |
9.5 |
Low* |
p-mentha-1,5,8-triene |
21195-59-5 |
273 |
4.61 |
2.96 |
Low* |
geranial |
141-27-5 |
12.2 |
3.45 |
1340 |
High |
1,5-p-menthadien-8-ol |
1686-20-0 |
3.51 |
3.12 |
523 |
High |
p-cymenyl ethyl ether |
68279-51-6 |
10.2 |
3.68 |
40.07 |
Moderate |
alpha-terpineole |
99-86-5 |
222 |
4.75 |
5.92 |
Low* |
* Dermal absorption is furthermore mitigated by the tendency of the substance to evaporate from the skin.
Inhalation absorption
The main physicochemical parameters determining the extent to which a liquid substance may be absorbed by the inhalation route are the vapour pressure, the log Kow and the water solubility.
Nielsen et al. (2010) gives the following criteria:
- Highly volatile substances are considered those substances that have a vapour pressure exceeding 25000 Pa (or boiling point < 50°C), whereas a vapour pressure < 500 Pa (or boiling point > 150C°) indicates a low volatility.
- Log Kow > 0 indicates the potential for direct absorption across the respiratory tract epithelum. Substances with a log Kow value between 0 and 4 are sufficiently lipophilic to allow crossing the alveolar and capillary membranes, and hence are likely to be absorbed as well.
- A sufficient water solubility increases the potential for inhalation absorption. Nevertheless, very hydrophilic substances may be retained within the mucus, and transported out of the respiratory tract by clearance mechanisms.
The constituents of citrylal are assessed in the below table.
Name |
CAS |
VP (Pa) |
Log Kow |
WS (mg/L) |
Inhalation absorption |
p-cymene |
99-87-6 |
152 |
4.0 |
28 |
High* |
ethanol |
64-17-5 |
7910 |
-0.14 |
7.9E5 |
Very high# |
4-isopropenyltoluene |
1195-32-0 |
99.4 |
3.99 |
35.29 |
High* |
terpinoline |
586-62-9 |
133 |
4.88 |
9.5 |
Low* |
p-mentha-1,5,8-triene |
21195-59-5 |
273 |
4.61 |
2.96 |
Low* |
geranial |
141-27-5 |
12.2 |
3.45 |
1340 |
High* |
1,5-p-menthadien-8-ol |
1686-20-0 |
3.51 |
3.12 |
523 |
High* |
p-cymenyl ethyl ether |
68279-51-6 |
10.2 |
3.68 |
40.07 |
Moderate* |
alpha-terpineole |
99-86-5 |
222 |
4.75 |
5.92 |
Low* |
* Inhalation absorption is furthermore mitigated by the low tendency of the substance to evaporate.
# The physicochemical parameters would suggest that the substance is too hydrophilic to cross the alveolar and capillary membranes. However, as ethanol as a very low molecular weight it can be absorbed through aqueous pores.
Metabolism and Excretion
No information on the metabolism and excretion of the test item is available.
References:
Nielsen E, Ostergaard G, Larsen JC (2010).Toxicological Risk Assessment of Chemicals; A Practical Guide. Published by: Informa Healthcare. ISBN-13: 9780849372650.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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