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EC number: 240-458-0 | CAS number: 16409-44-2
- 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
Auto flammability
Administrative data
Link to relevant study record(s)
Description of key information
The autoflammability is 245°C based on read across from Citronellyl acetate, the rationale is presented below.
Key value for chemical safety assessment
- Autoflammability / Self-ignition temperature at 101 325 Pa:
- 245 °C
Additional information
Auto-flammability of Neryl acetate multi using read across from Citronellyl acetate multi
Introduction
Neryl acetate multi is a multi-constituent of two isomers: Neryl acetate and Geranyl acetate. This ester has an unsaturated branched alkyl backbone to which an acetate group is attached. For this substance there is no experimental auto-flammability information available. According to REACH Annex XI 1.5, information can be generated by other means, i.e. applying alternative methods such as QSARs, grouping and read-across. The autoflammability information of Citronellyl acetate is used to predict the auto-flammability of Neryl acetate multi.
Hypothesis: Neryl acetate multi has the same auto-flammability as Citronelly acetate.
Available information: Citronellyl acetate is tested in an A15 (Rel. 1) test and has an experimental auto-flammability temperature of 245°C.
Target chemical and source chemical(s)
Chemical structures of the target chemical and the source chemical(s) are shown in the data matrix, including relevant physico-chemical properties.
Purity / Impurities
Neryl acetate multi is a multi-constituent. The other component is the E-isomer Geranyl acetate, together these have a purity of > 80%. There is one known impurity below << 10%, similar to the Neryl acetate and therefore will not be considered further.
Analogue justification
According to Annex XI 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 Neryl acetate multi the substance Citronellyl acetate multi was selected, because it is a close analogue and auto-flammability information was readily available.
Structural similarities and differences: Neryl acetate multi and Citronellyl acetate both have a similar unsaturated branched alkyl backbone to which acetate-group is attached. The difference is that Citronellyl acetate has one double bond less and therefore two additional H-atoms. The minor constituent of Citronellyl acetate, Dihydro-Citronellyl acetate has no double bonds in its chemical structure, which adds another two H-atoms.
Physical chemical properties: For liquids the boiling point and flashpoint are the key features for flammability. Both these properties are similar for Neryl acetate multi and Citronellyl acetate multi: the boiling points are 247.6 and 244°C, respectively and flashpoints are 98 and 104°C, respectively. Based on these similarities for Neryl acetate multi a similar auto-flammability as for Citronellyl acetate can be predicted and results in a value of 245°C value.
Uncertainty of the predictions: There are no remaining uncertainties other than those already addressed above.
Conclusion on hazard
For Neryl acetate multi no experimental information is available for auto-flammability but for Citronellyl acetate multi, a close analogue, such information is available and is 245°C, which can be used for read across.
Final conclusion: Neryl acetate multi has an auto-flammability 245°C.
Data matrix: Neryl acetate multi’s characteristics and expected autoflammability supported with experimental data from Citronellyl acetate
Common names |
Neryl acetate multi (Z and E-isomer) |
Citronellyl acetate multi (Key constituent) |
|
Target |
Source |
Chemical structures |
One of the isomers |
|
CAS no. |
16409-44-2 |
150-84-5 (Citronellyl acetate), |
Empirical formula |
C12H20O2 |
C12H22O2 |
EINECS |
240-458-0 (mono) |
908-114-0 |
REACH Registration |
2018 |
2018 |
Molecular weight |
196 |
198 |
Phys-Chem |
|
|
Physical state |
Liquid |
Liquid |
Boiling point oC |
247.6 |
244 |
Vapour pressure in Pa |
2.1 |
2.58 |
Flashpoint oC |
98 |
104 |
Viscosity mPa |
1.97 |
2.1 |
Auto-flammability (°C) |
245 (Read across) |
245 (EC A.15) |
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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