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EC number: 255-256-8 | CAS number: 41199-19-3
- 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 Ambrinol 95 the LD50 is >2000 mg/kg bw which based on read-across from a multi-constituent containing 56% Ambrinol and a similar analogue tested in an OECD TG 401.
Key value for chemical safety assessment
Acute toxicity: via oral route
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- > 2 000 mg/kg bw
Additional information
For Ambrinol 95, the acute oral toxicity is derived from a multi-constituent containing 56% Ambrinol. The summary of the experimental information is presented first and thereafter the read across rationale.
Ambrinol S (Reaction mass of 1,2,3,4,4a,5,6,7-octahydro-2,5,5-trimethyl-2-naphthol and 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one)
The acute oral toxicity has been studied in an OECD TG 401 test following GLP principles. The substance was administered at a dose of 2000 mg/kg bw to 5 male and 5 female SD rats and animals were observed for 14 days. Two females were found to be hypoactive, ataxic and suffering tremors 5.5 hours after dosing and were killed in extremis. In the surviving animals, clinical signs were limited to brown peribuccal staining in 3 animals 30 minutes after dosing and hypoactivity in all animals 4 hours after dosing. Generally recovery had occurred by day 2. There were no adverse effects an bodyweight gain in animals of either sex. There were no treatment related necropsy findings. The acute oral toxicity (LD50) was determined to be >2000 mg/kg.
Ambrinol 95 (Cas no. 41199-19-3) and its acute oral toxicity of using read across from Ambrinol S (EC number: 915-610-0)
Introduction and hypothesis for the analogue approach
For Ambrinol 95 (2,5,5-trimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol) no acute oral toxicity data are available. In accordance with Article 13 of REACH, lacking information should be generated whenever possible by means other than vertebrate animal tests, i.e. applying alternative methods such as in vitro tests, QSARs, grouping and read-across. For assessing the acute oral toxicity of Ambrinol 95 the constituent approach is selected because acute oral toxicity information is available of a multi-constituent containing 56% Ambrinol and 30% Dihydro-alpha-ionone (CAS 31499-72-6). This information can be used for read across.
Hypothesis: The toxicity of Ambrinol 95 can be derived from Ambrinol S (Reaction mass of 1,2,3,4,4a,5,6,7-octahydro-2,5,5-trimethyl-2-naphthol and 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one) containing 56% Ambrinol.
Available information: Ambrinol S has been tested in a well conducted acute oral toxicity test (OECD TG 401 under GLP) at 2000 mg/kg bw, in which 2/10 animals died. Test result receives a reliability of 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 and toxicological information, thought relevant for acute oral toxicity and read across.
Purity / Impurities
Ambrinol 95 is a mono-constituent containing >90% 2,5,5-trimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol. The impurities are all below 4%.
Analogue approach 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 Ambrinol 95 the constituent approach is selected as Ambrinol S contains 56% Ambrinol. For Ambrinol S acute oral toxicity information is available. The other constituent of Ambrinol S, Dihydro-alpha-ionone is almost a structural isomer of Ambrinol with expected similar toxicological properties. For Dihydro-alpha-ionone no data is available, but for the structural analogue Dihydro-beta-ionone (CAS# 17283-81-7), which has a double bond in the ring at one carbon different from the alpha, there is. (https://echa.europa.eu/nl/registration-dossier/-/registered-dossier/19009/7/3/2).
Structural similarities: Ambrinol and Dihydro-alpha-ionone have the same unsaturated hexylring with 2 methyl groups at the same spot. The difference is the closed hexyl-ring in Ambrinol compared to the open alkyl chain. The other difference is the functional tertiary alcohol versus the ketone group.
Toxicol-kinetics: The very similar structure of both constituents, phys-chem properties would indicate similar bioavailability (see Datamatrix).
Toxico-dynamics: The reactivity of the ketone group of Dihydro-alpha-iononone will be lower compared to the tertiary alcohol of Ambrinol. This is supported with skin and eye irritation properties, as Ambrinol is causing more severe eye damage compared to Ambrinol S, which can be explained as Dihydro-beta-iononone is not a skin or eye irritant.
Uncertainty of the prediction: In the study with Ambrinol S, 2 out of 10 animals had to be killed in extremis within 6 hours after dosing, which is expected for this substance too. For the constituent: Dihydro-alpha-ionone, no acute oral toxicity information is available. However, it is for the structural analogue Dihydro-beta-ionone. This substance shows a LD50 >2000 mg/kg bw without any mortality. Hence, the mortality observed for Ambrinol S could be a result of Ambrinol instead of Dihydro-alpha-ionone. Nonetheless, extrapolating the mortality of 2 out 10 for 56% Ambrinol to >90% Ambrinol would however not cause the LD50 to be below 2000 mg/kg bw .
Data matrix
The relevant information on physico-chemical properties and toxicological characteristics are presented in the Data Matrix below.
Conclusions on acute oral toxicity
For Ambrinol 95 no acute oral toxicity information is available. For the Ambrinol S this information is present and will be used for read across. When using read across the result derived should be applicable for C&L and/or risk assessment and be presented with adequate and reliable documentation. The current document fulfills this documentation. For Ambrinol S a well conducted acute oral toxicity test is available (OECD TG 401, Klimisch 1) with a LD50 of >2000 mg/kg bw. Based on these data, for Ambrinol 95 also a LD50 of >2000 mg/kg bw can be derived.
Final conclusion: Ambrinol 95 has an acute oral LD50 of >2000 mg/kg bw.
Data matrix to support the read across on acute oral toxicity
Common names | Ambrinol 95 | Ambrinol S | Dihydro-beta-ionone |
| Target | Source |
|
Chemical structures | 56%
Dihydro-alpha-ionone 30% | ||
CAS no | 41199-19-3 | 41199-19-3 31499-72-6 | 17283-81-7 |
EC number | 255-256-8 | 915-610-0 | 241-318-1 |
REACH registration |
| Registered | Registered |
Empirical formula | C13H22O | C13H22O | C13H22O |
Molecular weight | 194.3 | 194.3 | 194.3 |
Physico-chemical data |
|
|
|
Physical state | Liquid | Liquid |
|
Vapour pressure (Pa) | 0.4 (measured) | 2 (measured) | 0.42 (measured) |
Water solubility (mg/l) | 585 (measured) | 211 (measured) | 43 (measured) |
Log Kow | 4.6 (measured) | 3.96 (measured) | 4.5 (measured) |
Human health endpoints |
|
|
|
Acute oral tox (mg/kg bw) | Read across | > 2000 (OECD TG 401) | > 2000 (OECD TG 423) |
Skin irritation | Skin irritant (OECD TG 439) | Skin irritant (OECD TG 404) | Non irritant (OECD TG 404) |
Eye irritation | Eye irritant with severe eye damage (OECD TG 438) | Eye irritant (OECD TG 438) | Non irritant Draize method) |
Justification for classification or non-classification
The substance does not have to be classified for Acute oral toxicity according to EU CLP (EC No. 1272/2008 and its amendments).
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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