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EC number: 283-900-8 | CAS number: 84775-71-3 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Ocimum basilicum, Labiatae.
- 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
Acute oral toxicity using read across from Linalool (tested in a study similar to OECD TG 401): LD50 = 2790 mg/kg bw
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1964
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- Pre-GLP, pre-guideline study which seems to be performed under standardized conditions.
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Deviations:
- no
- GLP compliance:
- no
- Test type:
- standard acute method
- Limit test:
- no
- Species:
- rat
- Strain:
- Osborne-Mendel
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: no data
- Age at study initiation: young adults
- Weight at study initiation: no data
- Fasting period before study: 18 hours
- Water (e.g. ad libitum): ad libitum
ENVIRONMENTAL CONDITIONS
No data - Route of administration:
- oral: gavage
- Vehicle:
- unchanged (no vehicle)
- Details on oral exposure:
- Not specified
- Doses:
- Not specified
- No. of animals per sex per dose:
- 5
- Control animals:
- not specified
- Details on study design:
- - Duration of observation period following administration: The usual observation period was 2 weeks; in a few cases, where no acute toxic signs were seen, the animals were observed for only one week.
- Frequency of observations and weighing: Frequency not known, all animals were maintained under close observation for recording toxic signs and time of death. Such observation was continued until animals appeared normal or showed weight gain. - Statistics:
- LD50's were computed by the method of Litchfield & Wilcoxon (1949).
- Preliminary study:
- Not relevant
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 2 790 mg/kg bw
- 95% CL:
- > 2 440 - < 3 180
- Remarks on result:
- other: Slope function 1.3 (95% CI 1.2-1.4)
- Mortality:
- Time of death between 4 and 18 hours after exposure
- Clinical signs:
- other: Ataxia was observed soon after treatment
- Gross pathology:
- Not specified
- Interpretation of results:
- other: Not acute toxic
- Remarks:
- in accordance with EU CLP (EC 1272/2008 and its updates)
- Conclusions:
- The acute oral toxicity test showed a LD50 of 2790 mg/kg bw. Based on this result, the test substance is considered to have a relatively low acute toxicity hazard via the oral route. In accordance with the criteria outlined in the UN-GHS legislation, the substance should be classified for acute oral toxicity (Acute Tox. 5 / H303).
- Executive summary:
The acute oral toxicity of Linalool to rats was investigated, in a study performed similar to OECD TG 401. Ten Osborne-Mendel rats per concentration were used, the substance was administered orally via gavage, in a fasted state. Clinical signs and mortality were recorded over a 2 week period. The rats showed ataxia soon after treatment and mortality was observed after 4 -18 hrs. The LD50 was determined to be 2790 mg/kg body weight (confidence interval 2440 -3180).
- Endpoint:
- acute toxicity: oral
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other:
- Remarks:
- Information is derived from read across
- Justification for type of information:
- The read across justification is presented in the acute toxicity endpoint summary and the accompanying files are also attached there.
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 2 790 mg/kg bw
- 95% CL:
- > 2 440 - < 3 180
- Remarks on result:
- other: Slope function 1.3 (95% CI 1.2-1.4)
- Interpretation of results:
- other: Not acute toxic
- Remarks:
- in accordance with EU CLP (EC 1272/2008 and its updates)
- Conclusions:
- The acute oral toxicity test showed a LD50 of 2790 mg/kg bw. Based on this result, the test substance is considered to have a relatively low acute toxicity hazard via the oral route. In accordance with the criteria outlined in the UN-GHS legislation, the substance should be classified for acute oral toxicity (Acute Tox. 5 / H303).
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
Additional information
The acute oral and dermal toxicity of Basil oil was assessed by using read across from Linalool (CAS No.: 78-70-6). First the experimental acute toxicity information of Linalool will be summarised. Thereafter the read across justification is presented. The accompanying files are attached in the present endpoint summary.
Acute oral toxicity (Linalool)
The acute oral toxicity of Linalool to rats was investigated, in a study performed similar to OECD TG 401. Ten Osborne-Mendel rats per concentration were used, the substance was administered orally via gavage, in a fasted state. Clinical signs and mortality were recorded over a 2 week period. The rats showed ataxia soon after treatment and mortality was observed after 4 -18 hrs. The LD50 was determined to be 2790 mg/kg body weight (confidence interval 2440 -3180).
Read across justification
The acute oral toxicity of Basil oil obtained from the stems and leaves of Ocimum basilicum by steam distillation (Basil oil - Linalool type) CAS no: 84775-71-3 (target) using read across from Linalool, CAS no: 78-70-6 (source)
Introduction and hypothesis for the analogue approach
Basil oil - Linalool type is a UVCB which consists of hydrocarbon constituents some of which include oxygen. Its major constituents are Linalool(contains a tertiary OH group and two C=C bonds)and Eucalyptol(contains a cyclic ether group. The full composition is given at the end of the document in the data matrix. For Basil oil - Linalool type (target) no acute oral toxicity data are available. Therefore additional information is used in accordance with Article 13 of REACH where it is said that lacking information should be generated whenever possible by means other than vertebrate animal tests, i.e. applying alternative methods such as in vitro tests, SARs, grouping and read-across. For assessing the acute oral toxicity of Basil oil - Linalool type, the acute oral toxicity effects of Linalool is used, which is the main constituent of Basil oil - Linalool type.
Hypothesis:Basil oil-Linalool type (target)is expected to have the same acute oral toxicity asLinalool (source).
Available information:The acute oral toxicity of Linalool to rats was investigated in a study performed similar to OECD TG 401 pre-GLP (Reliability 2). Ten Osborne-Mendel rats per concentration were used, they were administered the substance orally via gavage, in a fasted state. Clinical signs and mortality were recorded over a 2 week period. The rats showed ataxia soon after treatment and mortality was observed after 4 -18 hrs. The LD50 was determined to be 2790 mg/kg body weight (confidence interval 2440 -3180).
Target and Source chemical(s): The information onBasil oil - Linalool type(target)and the information from Linalool (source) are presented in the data matrix 1 of this document. This includes chemical structure of source, physico-chemical properties and toxicological information, relevant for acute oral toxicity.
Purity / Impurities:
The impurities are not relevant forBasil oil - Linalool type(target) as it is a UVCB (Naturally Complex Substance).
Analogue approach justification
According to REACH Annex XI an analogue approach and structural alert information can be used to replace testing when information from different sources provides sufficient evidence to conclude that this substance has or does not have a particular dangerous property. The result derived should be applicable for C&L and/or risk assessment and be presented with adequate and reliable documentation.
Analogue selection:
Linaloolwas selected as analogue source because Basil oil – Linalool type consist of at least 45% Linalool.
Basil oil-Linalool type (target), beside Linalool, consists of various constituents that are present in variable ranges, as shown in data matrix 2. For only a two constituents acute oral toxicity information is available: Eugenol and Estragole)
Structural similarities and differences:Basil oil linalool type (target) contains mostly Linalool. Linalool has a tertiary alcohol, a terminal double bond and a terminal isopropene group. Such (functional) groups are also apparent in the other constituents: Alpha-bergamotene(contains two C=C double bonds), Germacrene D (contains three C=C double bonds), Gamma-cadinene (contains two C=C double bonds), Alpha-cadinol (contains a C=C bond and a tertiary OH group), Beta-elemene (contains three C=C double bonds), Alpha-bulnesene (contains two C=C double bonds), Myrcene (contains three C=C double bonds) and Gamma elemene (contains three C=C double bonds). Two constituents have other functional groups: Eugenol (contains C=C double bonds (aromatic and aliphatic), an alcohol and ether group) and Estragole (contains C=C double bonds (aromatic and aliphatic), and an ether group).
Toxicokinetics:All constituents of Basis oil will have a high oral absorption pattern based on the fairly low molecular weights ca <=200 and all log Kows are in the range of good absorption. The non-Linalool constituents will be prone to oxidation into primary, secondary and tertiary alcohols. The primary alcohols can turn into acids and will be excreted as such or when remain alcohols they can be glucuronated and/or conjugated to alpha-2u globulins, which all will be excreted via kidneys.Toxicodynamics:According to the ECHA Chapter R.7a: endpoint specific guidance R7.4.1.1, acute toxicity can be related to three main types of toxic effect, i.e. (i) general basal cytotoxicity, (ii) selective cytotoxicity and (iii) cell function specific toxicity. Acute toxicity may also result from substances interfering with extracellular processes (Seibert, 1965). Toxicity to the whole organism also depends on the degree of dependence of the organism on the specific function affected. For Linalool a general basal cytotoxicity can be anticipated, though some reactivity cannot be excluded because of the oxidation of some groups. The other constituents in Basil oil – Linalool type are expected to have similar basal cytotoxicity and reactivity in view of the similarities in oxidation patterns.
Remaining uncertainties:Linalool is the key constituent, and the other constituents are expected to have a similar reactivity mechanism and therefore the LD50 of Linalool represents the Basil oil – Linalool type. For Eucalyptol and Eugenol likely similar LD50s are anticipated being > 2000 mg/kg bw and some mortality is seen at 2000 mg/kg bw and higher. Estragole is more toxic with an LD50 of 1230 mg/kg bw. In view of its presence < 3% this will not significantly change the LD50 of Basil oil – Linalool type.
Conclusions on the acute oral toxicity endpoint
For Basil oil – Linalool type no acute oral toxicity data are available. Basil oil mainly contains Linalool and therefore the acute oral toxicity is derived from Linalool. The other constituents are expected to have a similar reactivity profile and the LD50 will be in the same order of magnitude. Linalool has an LD50 of 2790 mg/kg bw and therefore Basil oil – Linalool type will have an LD50 of 2790 mg/kg bw.
Final hazard conclusion: Basil – Linalool type has an LD50 of 2790 mg/kg bw.
Data matrix 1. Basil oil – Linalool type (target) and Linalool (source) information to support the read across for skin and eye irritation
CHEMICAL NAME |
Basil oil - Linalool type |
Linalool* |
Molecular structure |
N/A |
|
|
Target |
Source |
CAS |
84775-71-3 |
78-70-6 |
REACH registration |
To be registered (Annex VII) |
Yes |
Einecs |
283-900-8 |
201-134-4 |
Molecular formula |
N/A |
C10H18O |
Molecular weight |
N/A |
154.253 |
Physico-chemical properties |
||
Appearances |
Clear liquid (IFF, 2017) |
Clear liquid |
Melting point (˚C) |
<-20(IFF, 2017) |
>-74 |
Vapour pressure (Pa) |
29.1 (IFF, 2017) |
27 |
Exp. Water solubility |
940.5 (IFF, 2017) |
1560 |
Exp. Log Kow |
2.4-5.6 (IFF, 2017) |
2.9 |
Human health |
|
|
Acute toxicity (oral) |
Read across |
LD50 2790 mg/kg bw (OECD TG 401) |
Genetic toxicity (Ames) |
Negative (OECD TG 471) |
Negative (OECD TG 471) |
* Hazard properties from ECHA disseminated dossier (accessed March 2018)
Data matrix 2. Key constituents of Basis oil and available information on acute oral toxicity ordered according to functional group starting with the linolool the key constituent
NAME# |
CAS |
Min conc |
Max conc |
Functional group and metabolic pathway |
Acute oral toxicity |
Linalool |
126-91-0 |
45.00% |
62.00% |
Tertiary alcohol Glucuronation of alcohol |
LD50 = 2790 mg/kg bw (Jenner et al., 1964* and ECHA dissemination site) |
Alpha-cadinol |
481-34-5 |
0.50% |
5.00% |
Tertiary alcohol Glucuronation of alcohol |
Not available |
Myrcene |
123-35-3 |
< 0.01% |
2.00% |
Oxidation of (final) double bond |
Not available |
Germacrene D |
37839-63-7 |
1.00% |
5.00% |
Oxidation of double bonds |
Not available |
Gamma-cadinene |
39029-41-9 |
1.00% |
5.00% |
Oxidation of double bonds |
Not available |
Beta-elemene |
33880-83-0 |
0.50% |
5.00% |
Oxidation of double bonds |
Not available |
Gamma elemene |
3242-08-8 |
< 0.01% |
2.00% |
No addition |
Not available |
Alpha-bergamotene |
17699-05-7 |
0.01%
|
8.00%
|
No addition |
Not available |
Eucalyptol |
470-82-6 |
3.00%
|
12.00%
|
Ether in ring May oxidise |
LD50 2480 mg/kg bw (Jenner et al., 1964*) |
Estragole |
140-67-0 |
< 0.01% |
3.00% |
Ether Demethylation and oxidation of final double bond, being more reactive compared to Linalool |
1230 mg/kg bw (Moreno, 1972, RIFM database) |
Eugenol |
97-53-0 |
0.01% |
8.00% |
Ether Demethylation; Oxidation of final double bond |
LD50 >2,000 mg/kg body weight (NTP, 1983; 1/10 rat died). LD50 >1,500 <3,000 mg/kg body weight. (NTP, 1983; 1/5 male mid dose mice and 2/5 male + 5/5 female high dose mice died). |
Alpha-bulnesene |
3691-11-0 |
0.10% |
3.00% |
No addition |
Not available |
Other minor and unknown constituents |
N/A |
5.00% |
20.00% |
|
Not available |
# Chemical structures are present in the attached document
*Jenner, P.M., Hagan, E.C., Taylor, J.M., Cook, E.L., Fitzhugh, O.G., 1964, Food Flavorings and Compounds of Related Structure I. Acute Oral Toxicity, Food and Cosmetics Toxicology, 2, 327-343.
Justification for classification or non-classification
Based on the available data, the substance needs to be classified for acute oral toxicity in accordance with UN-GHS (Acute Tox. 5 / H303), but does not need to be classified according to the criteria outlined in 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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