Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 203-338-9 | CAS number: 105-85-1
- 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)
- Endpoint:
- basic toxicokinetics, other
- Type of information:
- other: Expert statement
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Expert statement, no study available
- Objective of study:
- absorption
- distribution
- excretion
- metabolism
- Principles of method if other than guideline:
- Expert statement
- GLP compliance:
- no
- Details on exposure:
- not applicable
- Duration and frequency of treatment / exposure:
- not applicable
- No. of animals per sex per dose / concentration:
- not applicable
- Positive control reference chemical:
- not applicable
- Details on study design:
- not applicable
- Details on dosing and sampling:
- not applicable
- Statistics:
- not applicable
- Details on absorption:
- Oral route:
Generally, oral absorption is favoured for molecular weights below 500 g/mol. Furthermore, a high water solubility of more than 100 mg/L enables the substance to readily dissolve in the gastrointestinal fluids, allowing direct uptake into the systemic circulation through aqueous pores or via carriage of the molecules across membranes with the bulk passage of water. Citronellyl formate has a water solubility of 16.2 mg/L, therefore not favouring absorption, but the moderate log Pow value is favourable for passive diffusion. Taken together, the physiochemical properties indicate that citronellyl formate might become bioavailable following the oral route. This assumption is confirmed by the results of the acute toxicity study and the combined repeated oral dose toxicity study with the reproduction/ developmental toxicity screening test. Clinical signs and mortality were observed in both studies. The combined repeated oral dose toxicity study with the reproduction/ developmental toxicity screening test furthermore revealed developmental toxicity.
Inhalation route:
Due to the low vapour pressure of citronellyl formate it is unlikely that the substance will be available as a vapour, but if it is the case absorption via inhalation route is possible due to the water solubility and the moderate log Pow value, enabling uptake directly across the respiratory tract epithelium by passive diffusion.
Dermal route:
Dermal uptake is favoured for substances with a molecular weight < 100 g/mol and log Pow values between 1 and 4. The log Pow of citronellyl formate is 3.9 and therefore lies in the range of between -1 and 4. The molecular weight of the substance is above 100 g/mol, but < 500 g/mol and therefore still small enough to be absorbed by skin. In addition, the substances must be sufficiently soluble in water to partition from the stratum corneum into the epidermis. Absorption is anticipated to be moderate to high if water solubility is between 100 and 10000 mg/L. Citronellyl formate has a water solubility of 16.2 mg/L, therefore not supporting dermal absorption. This assumption is supported by the results of the acute dermal toxicity study. No deaths occurred and no untoward behavioral reactions were exhibited by any of the animals. Only pale red erythema, slight edema and dryness of the skin were observed. - Details on distribution in tissues:
- As mentioned above, the physicochemical properties of citronellyl formate favour systemic absorption following oral and to a less extend inhalative and dermal uptake. Direct transport through aqueous pores is likely to be an entry route to the systemic circulation. In general, the smaller the molecule, the wider the distribution. Taken into account the log Pow and the water solubility, accumulation of citronellyl formate is unlikely. The available study data revealed no indications of the substance to cross the blood-brain barrier.
- Details on excretion:
- The metabolites of citronellyl formate are most likely excreted via urine due to their small molecular weight and their good water solubility.
- Details on metabolites:
- Metabolism mainly occurs in liver especially following oral intake. Citronellyl formate may be hydrolysed to citronellol and formic acid by carboxylesterases or esterases. Citronellol may undergo alcohol oxidation, omega-oxidation, hydration, or hydrogenation. Phase II reactions e.g. conjugation with glucuronic acid by glucuronyltransferases or conjugation with sulphuric acid by sulfotransferases may occur to enhance the hydrophilicity and to facilitate the elimination. Formic acid will be decomposed to CO2 in the C1 metabolism.
- Conclusions:
- Absorption via oral route is expected. Absorption via dermal and inhalation route is unlikely, but cannot be excluded. Bioaccumulation will not occur. After enzymatic conversion the metabolites will be mainly renally excreted.
- Executive summary:
Based on physicochemical characteristics, particularly water solubility and octanol-water partition coefficient, absorption by the oral route is expected. This assumption was confirmed by the results of the acute toxicity study and the combined repeated oral dose toxicity study with the reproduction/ developmental toxicity screening test. Clinical signs and mortality were observed in both studies at high doses. Absorption via dermal and inhalation route is unlikely, but cannot be excluded. Bioaccumulation of citronellyl formate or its breakdown products will not occur. After enzymatic conversion the metabolites will be mainly renally excreted.
Reference
Description of key information
Based on physicochemical characteristics, particularly water solubility and octanol-water partition coefficient, absorption by the oral route is expected. This assumption was confirmed by the results of the acute toxicity study and the combined repeated oral dose toxicity study with the reproduction/ developmental toxicity screening test. Clinical signs and mortality were observed in both studiesat high doses.Absorption via dermal and inhalation route is unlikely, but cannot be excluded. Bioaccumulation of citronellyl formate or its breakdown products will not occur. After enzymatic conversion the metabolites will be mainly renally excreted.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
Toxicokinetic Assessment
Citronellyl formate is a colourless to pale yellow liquid at room temperature with a molecular weight of 184.3 g/mol. The substance is soluble in water (16.2 mg/L at 20 °C). The log Pow of citronellyl formate was determined to be 3.9. Citronellyl formate has a vapour pressure of 4.0 Pa at 20 °C.
Absorption
Generally, oral absorption is favoured for molecular weights below 500 g/mol. Furthermore, a high water solubility of more than 100 mg/L enables the substance to readily dissolve in the gastrointestinal fluids, allowing direct uptake into the systemic circulation through aqueous pores or via carriage of the molecules across membranes with the bulk passage of water. Citronellyl formate has a water solubility of 16.2 mg/L, therefore not favouring absorption, but the moderate log Pow value is favourable for passive diffusion. Taken together, the physiochemical properties indicate that citronellyl formate might become bioavailable following the oral route. This assumption is confirmed by the results of the acute toxicity study and the combined repeated oral dose toxicity study with the reproduction/ developmental toxicity screening test. Clinical signs and mortality were observed in both studies. The combined repeated oral dose toxicity study with the reproduction/ developmental toxicity screening test furthermore revealed developmental toxicity.
Due to the low vapour pressure of citronellyl formate it is unlikely that the substance will be available as a vapour, but if it is the case absorption via inhalation route is possible due to the water solubility and the moderate log Pow value, enabling uptake directly across the respiratory tract epithelium by passive diffusion.
Dermal uptake is favoured for substances with a molecular weight < 100 g/mol and log Pow values between 1 and 4. The log Pow of citronellyl formate is 3.9 and therefore lies in the range of between -1 and 4. The molecular weight of the substance is above 100 g/mol, but < 500 g/mol and therefore still small enough to be absorbed by skin. In addition, the substances must be sufficiently soluble in water to partition from the stratum corneum into the epidermis. Absorption is anticipated to be moderate to high if water solubility is between 100 and 10000 mg/L. Citronellyl formate has a water solubility of 16.2 mg/L, therefore not supporting dermal absorption. This assumption is supported by the results of the acute dermal toxicity study. No deaths occurred and no untoward behavioral reactions were exhibited by any of the animals. Only pale red erythema, slight edema and dryness of the skin were observed.
Distribution
As mentioned above, the physicochemical properties of citronellyl formate favour systemic absorption following oral and to a less extend inhalative and dermal uptake.
Direct transport through aqueous pores is likely to be an entry route to the systemic circulation. In general, the smaller the molecule, the wider the distribution. Taken into account the log Pow and the water solubility, accumulation of citronellyl formate is unlikely. The available study data revealed no indications of the substance to cross the blood-brain barrier.
Metabolism
Metabolism mainly occurs in liver especially following oral intake. Citronellyl formate may be hydrolysed to citronellol and formic acidby carboxylesterases or esterases. Citronellol may undergo alcohol oxidation, omega-oxidation, hydration, or hydrogenation. Phase II reactions e.g. conjugation with glucuronic acid by glucuronyltransferases or conjugation with sulphuric acid by sulfotransferases may occur to enhance the hydrophilicity and to facilitate the elimination. Formic acid will be decomposed to CO2 in the C1 metabolism.
Excretion
The metabolites of citronellyl formate are most likely excreted via urine due to their small molecular weight and their good water solubility.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.