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EC number: 908-114-0 | 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
Endpoint summary
Administrative data
Description of key information
For Citronellyl Acetate (multi-constituent) the following results were derived:
Species |
Method |
Result |
Remarks |
Fish (D. rerio) |
Read-across |
96-h LC50: 6.1 mg/L |
Key study, Rel. 2. Value derived using read-across from Citronellyl Acetate mono (CAS 150 -84 -5; tested in an OECD TG 203 study). |
Daphnia magna |
Read-across |
48-h EC50: 3.48 mg/L |
Key study, Rel. 2. Value derived using read-across from Citronellyl Acetate mono (CAS 150 -84 -5; tested in an OECD TG 202 study). |
Green algae (D. subspicatus) |
Read-across |
72-h ErC50: >7.2 mg/L 72-h ErC10: 3.83 mg/L |
Key study, Rel. 2. Value derived using read-across from Citronellyl Acetate mono (CAS 150 -84 -5; tested in an OECD TG 201 study). |
STP microorganisms |
Read-across |
28-d NOEC: 10 mg/L |
Key study, Rel. 2. Value derived using read-across from Citronellyl Acetate mono (CAS 150 -84 -5; tested in an OECD TG 301D study). |
Additional information
The aquatic toxicity is assessed based on read-across from Citronellyl Acetate mono to Citronellyl Acetate Multi. The executive summaries of the source information is presented in the respective Endpoint summaries. The read-across rationale is presented below.
Aquatic toxicity of Citronellyl Acetate Multi based on read across from data available for Citronellyl Acetate mono (CAS# 150-84-5).
Introduction and hypothesis for the analogue approach
Citronellyl Acetate Multi is a multi-constituent. The main constituent of Citronellyl Acetate Multi is Citronellyl Acetate mono. It has an unsaturated hydrocarbon backbone to which an acetic ester is attached. The minor constituent is Dihydro-Citronellyl Acetate, which has a similar but a saturated backbone and has an acetic ester attached to this.
For Citronellyl Acetate Multi, there are no experimental aquatic toxicity data available. In accordance with Article 13 of REACH, lacking information can be generated by means other than vertebrate animal testing, i.e. applying alternative methods such as in vitro tests, QSARs, grouping and read-across. For assessing the aquatic toxicity of Citronellyl Acetate Multi, the analogue approach is selected because for the main constituent, Citronellyl Acetate mono (CAS# 150-84-5), experimental data is available which can be used for read across.
Hypothesis: Citronellyl Acetate Multi as a whole has the same aquatic toxicity potential as the read-across source chemical Citronellyl Acetate mono based on structural similarity and related physico-chemical parameters and reactivity and conversion is not needed.
Available information: No experimental data is available for Citronellyl Acetate Multi.For the source chemicalCitronellyl Acetate mono,data are available. The LC50 for fish, the EC50 for Daphnia and ErC50 for algae 6.1, 3.48 and > 7.2 mg/l and the EC10 for algae is 3.83 mg/l based on measured concentrations as tested in OECDTG 203, 202 and 201, respectively under GLP (Klimisch 1).
Target chemical and source chemical(s)
Chemical structures of the target chemical and the source chemical are shown in the data matrix, including physico-chemical properties.
Purity / Impurities
The purity and impurities of the target chemical do not indicate other biodegradation potential other than indicated by the parent substance. The impurities are all below < 10%.
Analogue approach justification
According to Annex XI section 1.5, read across can be used to replace testing when the similarity can be based on a common backbone and a common functional group. When using read across the result derived should be applicable for C&L and/or risk assessment and it should be presented with adequate and reliable documentation, which is presented below.
Analogue selection: For Citronellyl Acetate Multi its key constituentCitronellyl Acetate mono is selected as an analogue for read-across because it covers almost 70% of the aquatic toxicity. The information can be used for read across to Dihydro-Citronellyl Acetate, which is structurally very similar.
Structural similarities and differences: Citronellyl Acetate mono has an unsaturated hydrocarbon backbone (one double bond not conjugated with the ester) compared to the saturated backbone of Dihydro-Citronellyl Acetate. In absence of the conjugation of the double bone with the ester the electrophilicity of the ester bond will be the same.
Bioavailability: Citronellyl Acetate Multi’s key constituent Citronellyl Acetate mono has a slightly lower log Kow compared to Dihydro-Citronellyl Acetate: 4.6 and 5, respectively. In view of the difference being <0.5, this has limited impact on the toxicity.
Reactivity: Citronellyl Acetate Multi’s reactivity is mainly driven by Citronellyl Acetate mono being the key constituent. As presented above at structural similarities the presence of absence of the double bond is not expect to significantly influence the toxicity. Also ECOSAR and other classification systems present both key constituent in the same ester class of reactivity.
Conversion of the effect values to Citronellyl Acetate Multi from the mono: A conversion is not needed because Citronellyl Acetate mono already covers the substance for almost 70% and the toxicity of Dihydro-Citronellyl Acetate is considered the same.
Uncertainty of the prediction: There are no other uncertainties than those already presented above.
Conclusions on aquatic toxicity
For Citronellyl Acetate Multi no aquatic toxicity information is available. Such information is available for its key constituent Citronellyl Acetate mono and this information can be used for read across to Dihydro-Citronellyl Acetate, which is the minor constituent, which is presented with adequate and reliable documentation. ForCitronellyl Acetate mono theLC50 for fish, the EC50 for Daphnia and ErC50 for algae 6.1, 3.48 and > 7.2 mg/l and the EC10 for algae is 3.83 mg/l based on measured concentrations as tested in OECDTG 203, 202 and 201, respectively under GLP (Klimisch 1).
Final conclusion: For Citronellyl Acetate Multi, the 96-h LC50 in fish is 6.1 mg/L, the 48-h EC50 in daphnids is 3.48 mg/L, and the 72-h ErC50 and ErC10 in aquatic algae >7.2 mg/L and 3.83 mg/L, respectively.
Data matrix presenting the information relevant for read across to Citronellyl Acetate Multi from Citronellyl Acetate mono for aquatic toxicity
Substance |
Citronellyl Acetate Multi |
Citronellyl Acetate mono constituent |
Dihydro-Citronellyl Acetate constituent |
Read-across |
Target |
Source |
Target |
Chemical name |
- |
|
|
Structure |
See constituents. |
||
% in product |
See constituents |
60-75 |
10-20 |
CAS |
See constituents |
150-84-5 |
20780-49-8 |
EC no |
908-114-0 |
205-775-0 |
244-034-6 |
MW |
See constituents |
198 |
200 |
Phys-chem |
|
|
|
MW |
See constituents |
198 |
200 |
Appearance |
Liquid |
Liquid |
Liquid |
Log Kow |
4.6 (exp.) |
4.6 (ECHA site) |
4.6 (ECHA site) |
Ws (mg/L) |
12.1 (exp) |
5.7 (ECHA site) |
4.7 (ECHA site) |
Vp (Pa) |
2.6 (exp) |
7.0 (ECHA site) |
12.9 (ECHA site) |
Aquatic toxicity |
|
|
|
Algae EC50 and EC10 in mg/l |
>7.2 3.83 (RA) |
>7.2 3. 83 (OECD 201) |
- |
Daphnia EC50 in mg/l |
3.48 mg/L (RA) |
3.48 mg/L (OECD 202) |
- |
Fish LC50 in mg/l |
6.1 mg/L (RA) |
6.1 mg/L (OECD 203) |
- |
RA = read-across.
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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