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EC number: 231-415-7 | CAS number: 7540-51-4
- 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
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- 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
Eye irritation
Administrative data
- Endpoint:
- eye irritation: in vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable, well documented study report. Test procedure according to national standards
Cross-reference
- Reason / purpose for cross-reference:
- reference to same study
Reference
- Endpoint:
- eye irritation: in vivo
- 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: Acceptable, well documented study report. Test procedure according to national standards
- Justification for type of information:
- ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
This read-across is based on the hypothesis that source substances and target substance have similar physical-chemical properties and (eco)toxicological properties because they are either stereoisomers of the target substance, are hydrolysed to the same substance or their chemical structure differs only by an additional double bond. This prediction is supported by data on the substances themselves.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
The target substance, L-Citronellol, is a mono-constituent substance (EC No. 231-415-7, CAS no. 7540-51-4 consisting of a C8 carbon backbone, methyl substituents at C3 and C7, one double bond and a hydroxyl group. The substance is optically active, comprising a single, pure enantiomeric laevo form.
The source substance, DL-Citronellol, is a mono-constituent substance (EC No. 203-375-0, CAS no. 106-22-9, consisting of a C8 carbon backbone, methyl substituents at C3 and C7, one double bond and a hydroxyl group. The substance is an equimolar mixture of two optical isomers (enantiomers).
The source substance, citronellyl acetate, is a mono-constituent substance (EC No. 205-775-0, CAS no. 150-84-5) consisting of a C8 carbon backbone, methyl substituents at C3 and C7, one double bond and an acetate group.
The source substance, geraniol and it’s isomer, consist of a C8 carbon backbone, methyl substituents at C3 and C7, two double bonds and a hydroxyl group. The only difference between the isomers is the position of the first double bond.
The source substance, geraniol and nerol, is a multi-constituent substance of E/Z isomers (EC No. 906-125-5). The constituents consist of a C8 carbon backbone, methyl substituents at C3 and C7, two double bonds and a hydroxyl group.
The source substance, geraniol, is a mono-constituent substance (EC No. 203-377-1, CAS no. 106-24-1), consisting of a C8 carbon backbone, methyl substituents at C3 and C7, two double bonds and a hydroxyl group. Geraniol is a pure form of the E-isomer.
The source substance, nerol, is a mono-constituent substance (EC No. 203-378-7, CAS no. 106-25-2), consisting of a C8 carbon backbone, methyl substituents at C3 and C7, two double bonds and a hydroxyl group. Nerol is a pure form of the Z-isomer.
The source and target substances are both of high purity with a low concentration of impurities.
3. ANALOGUE APPROACH JUSTIFICATION
The read across hypothesis is based on structural similarity where the source substances only differ in the enantiomeric ratio or an additional double bond. Another source substance is expected to be hydrolysed to the same structure as the target substance.
In a non-chiral environment the target and source chemical DL-Citronellol will have identical properties, but in the chiral environment of living organisms the enantiomers may possess different carcinogenicity and teratogenicity (in a chiral environment, stereoisomers might experience selective absorption, protein binding, transport, enzyme interactions and metabolism, receptor interactions, and DNA binding). All endpoints read-across from DL-Citronellol are considered to be acceptable for this substance assuming that 50% of the target compound is available in the test material.
The source substance citronellyl acetate is read-across from as part of a weight of evidence approach in the repeated dose toxicity endpoint. As this substance is hydrolysed to Citronellol within 2 hours, this read-across endpoint is acceptable in the weight of evidence approach used.
The source substances geraniol, nerol and the reaction mass of geraniol/nerol differ from the target substance only by an additional double bond at C2. These structures are considered to represent a worst case scenario due to the additional potential reactive feature of the second double bond. The genotoxicity, repeated dose and reproductive toxicity endpoints read-across from these substances are therefore acceptable as a worst case assumption.
4. DATA MATRIX
Please refer to the data matrix included in the read-across justification document attached in Section 13.2. - Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 405 (Acute Eye Irritation / Corrosion)
- Qualifier:
- according to guideline
- Guideline:
- other: FEDERAL REGISTER 38, NO. 187, PARA. 1500.42, 5. 27029; 27.09.73
- Principles of method if other than guideline:
- Method: Draize Test
- GLP compliance:
- not specified
- Species:
- rabbit
- Strain:
- Vienna White
- Details on test animals or tissues and environmental conditions:
- TEST ANIMALS
- Sex: female
- Weight at study initiation: mean 2.57 kg (2.33 - 3.15 kg)
- Diet: SSNIFF sold by Intermast - Vehicle:
- unchanged (no vehicle)
- Controls:
- other: left eye untreated, serves as control
- Amount / concentration applied:
- 0.1 ml
- Duration of treatment / exposure:
- application into the conjunctival sac of the lower right eyelid
- Observation period (in vivo):
- 8 days
- Number of animals or in vitro replicates:
- 6
- Details on study design:
- SCORING SYSTEM:
turgor/swelling of conjunctiva or opacity of cornea:
0 = nonexistant
1 = slight
2 = distinct
3 = intense
4 = severe
affected area of cornea:
1 = 0 < A < 1/4
2 = 1/4 <= A < 1/2
3 = 1/2 <= A < 3/4
4 = 3/4 <= A
redness of conjunctiva:
0 = regular
1 = slightly increased
2 = distinct
3 = intense
secretion:
0 = regular
1 = slightly increased
2 = distinctly increased
3 = highly increased
iris:
1 = ciliary injection
2 = iritia - Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 30.5
- Max. score:
- 39
- Reversibility:
- not fully reversible within: 8 days
- Irritation parameter:
- cornea opacity score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 1
- Max. score:
- 4
- Reversibility:
- not fully reversible within: 8 days
- Irritation parameter:
- iris score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0.28
- Max. score:
- 2
- Reversibility:
- fully reversible within: 8 days
- Irritation parameter:
- conjunctivae score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 1.72
- Max. score:
- 3
- Reversibility:
- not fully reversible within: 8 days
- Irritation parameter:
- chemosis score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 1.44
- Max. score:
- 4
- Reversibility:
- fully reversible within: 8 days
- Other effects:
- - scars in all animals
- suppuration in one animal
- pupil contraction in one animal - Interpretation of results:
- Category 2A (irritating to eyes) based on GHS criteria
- Remarks:
- Criteria used for interpretation of results: EU
- Conclusions:
- The test material induced mean corneal opacity scores (24/48/72 hr) of 1 in 6/6 rabbits. Therefore, according the CLP criteria, the substance is classified as Eye irritation, Category 2.
Results:
cornea | iris | conjunctiva | calculated irritation scores | ||||||||||
time | animal | opacity | area | redness | turgor/swelling | secretion | other | cornea | iris | conjunctiva | total | mean | |
24 h | 1 | 1 | 4 | 0 | 2 | 2 | 2 | scar | 20 | 0 | 12 | 32 | 33,67 |
2 | 1 | 4 | 0 | 2 | 2 | 2 | scar | 20 | 0 | 12 | 32 | ||
3 | 1 | 4 | 1 | 2 | 2 | 2 | scar | 20 | 5 | 12 | 37 | ||
4 | 1 | 4 | 0 | 2 | 2 | 2 | scar | 20 | 0 | 12 | 32 | ||
5 | 1 | 4 | 1 | 2 | 2 | 2 | scar | 20 | 5 | 12 | 37 | ||
6 | 1 | 4 | 0 | 2 | 2 | 2 | scar | 20 | 0 | 12 | 32 | ||
48 h | 1 | 1 | 4 | 0 | 1 | 1 | 1 | scar | 20 | 0 | 6 | 26 | 29,00 |
2 | 1 | 4 | 0 | 2 | 2 | 2 | scar | 20 | 0 | 12 | 32 | ||
3 | 1 | 4 | 1 | 2 | 2 | 3 | scar/suppuration | 20 | 5 | 14 | 39 | ||
4 | 1 | 4 | 0 | 2 | 1 | 1 | scar | 20 | 0 | 8 | 28 | ||
5 | 1 | 3 | 0 | 1 | 1 | 1 | scar | 15 | 0 | 6 | 21 | ||
6 | 1 | 4 | 0 | 2 | 1 | 1 | scar/pupil contraction | 20 | 0 | 8 | 28 | ||
72 h | 1 | 1 | 4 | 0 | 1 | 1 | 1 | scar | 20 | 0 | 6 | 26 | 28,83 |
2 | 1 | 4 | 1 | 2 | 1 | 2 | scar | 20 | 5 | 10 | 35 | ||
3 | 1 | 4 | 1 | 2 | 2 | 3 | scar/suppuration | 20 | 5 | 14 | 39 | ||
4 | 1 | 4 | 0 | 1 | 0 | 1 | scar | 20 | 0 | 4 | 24 | ||
5 | 1 | 3 | 0 | 1 | 1 | 1 | scar | 15 | 0 | 6 | 21 | ||
6 | 1 | 4 | 0 | 2 | 1 | 1 | scar/pupil contraction | 20 | 0 | 8 | 28 | ||
8 d | 1 | 0 | 0 | 0 | 0 | 0 | 0 | scar | 0 | 0 | 0 | 0 | 5,17 |
2 | 1 | 1 | 0 | 2 | 0 | 1 | scar | 5 | 0 | 6 | 11 | ||
3 | 0 | 0 | 0 | 1 | 0 | 1 | scar | 0 | 0 | 4 | 4 | ||
4 | 1 | 1 | 0 | 1 | 0 | 0 | scar | 5 | 0 | 2 | 7 | ||
5 | 1 | 1 | 0 | 1 | 0 | 0 | scar | 5 | 0 | 2 | 7 | ||
6 | 0 | 0 | 0 | 1 | 0 | 0 | scar | 0 | 0 | 2 | 2 | ||
Mean 24-72 h | 1 | 1.0 | 4.0 | 0.0 | 1.3 | 1.3 | 1.3 | 20.0 | 0.0 | 8.0 | 28.0 | ||
2 | 1.0 | 4.0 | 0.3 | 2.0 | 1.7 | 2.0 | 20.0 | 1.7 | 11.3 | 33.0 | |||
3 | 1.0 | 4.0 | 1.0 | 2.0 | 2.0 | 2.7 | 20.0 | 5.0 | 13.3 | 38.3 | |||
4 | 1.0 | 4.0 | 0.0 | 1.7 | 1.0 | 1.3 | 20.0 | 0.0 | 8.0 | 28.0 | |||
5 | 1.0 | 3.3 | 0.3 | 1.3 | 1.3 | 1.3 | 16.7 | 1.7 | 8.0 | 26.3 | |||
6 | 1.0 | 4.0 | 0.0 | 2.0 | 1.3 | 1.3 | 20.0 | 0.0 | 9.3 | 29.3 | |||
Mean 24-72 h | 1 | 3.89 | 0.28 | 1.72 | 1.44 | 1.67 | 19.4 | 1.4 | 9.7 | 30.5 |
24h after application of 0,1 ml of test substance:
slight opacity of complete cornea and in 2/6 cases ciliary injections;
all animals: distinct redness and turgor/swelling of conjunctiva, increased secretion of tears and scarred retractions at the eyelid
72h:
redness and turgor of conjunctiva and secretion in regression
8d:
3/6 animals show very light opacity of small areas of cornea,
5/6 show slight redness of conjunctiva,
2/6 show slightly increased secretion of tears,
1/6 shows temporary suppuration,
1/6 shows temporary contraction of the pupil;
all animals: irreversible scarred alterations of the eyelid
primary irritation score: 31 -> moderately irritating
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 979
- Report date:
- 1979
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 405 (Acute Eye Irritation / Corrosion)
- Qualifier:
- according to guideline
- Guideline:
- other: FEDERAL REGISTER 38, NO. 187, PARA. 1500.42, 5. 27029; 27.09.73
- Principles of method if other than guideline:
- Method: Draize Test
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Citronellol
- EC Number:
- 203-375-0
- EC Name:
- Citronellol
- Cas Number:
- 106-22-9
- Molecular formula:
- C10H20O
- IUPAC Name:
- 3,7-dimethyloct-6-en-1-ol
- Details on test material:
- - Name of test material (as cited in study report): Citronellol
- Substance No.: 78/741
Constituent 1
Test animals / tissue source
- Species:
- rabbit
- Strain:
- Vienna White
- Details on test animals or tissues and environmental conditions:
- TEST ANIMALS
- Sex: female
- Weight at study initiation: mean 2.57 kg (2.33 - 3.15 kg)
- Diet: SSNIFF sold by Intermast
Test system
- Vehicle:
- unchanged (no vehicle)
- Controls:
- other: left eye untreated, serves as control
- Amount / concentration applied:
- 0.1 ml
- Duration of treatment / exposure:
- application into the conjunctival sac of the lower right eyelid
- Observation period (in vivo):
- 8 days
- Number of animals or in vitro replicates:
- 6
- Details on study design:
- SCORING SYSTEM:
turgor/swelling of conjunctiva or opacity of cornea:
0 = nonexistant
1 = slight
2 = distinct
3 = intense
4 = severe
affected area of cornea:
1 = 0 < A < 1/4
2 = 1/4 <= A < 1/2
3 = 1/2 <= A < 3/4
4 = 3/4 <= A
redness of conjunctiva:
0 = regular
1 = slightly increased
2 = distinct
3 = intense
secretion:
0 = regular
1 = slightly increased
2 = distinctly increased
3 = highly increased
iris:
1 = ciliary injection
2 = iritia
Results and discussion
In vivo
Resultsopen allclose all
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 30.5
- Max. score:
- 39
- Reversibility:
- not fully reversible within: 8 days
- Irritation parameter:
- cornea opacity score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 1
- Max. score:
- 4
- Reversibility:
- not fully reversible within: 8 days
- Irritation parameter:
- iris score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0.28
- Max. score:
- 2
- Reversibility:
- fully reversible within: 8 days
- Irritation parameter:
- conjunctivae score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 1.72
- Max. score:
- 3
- Reversibility:
- not fully reversible within: 8 days
- Irritation parameter:
- chemosis score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 1.44
- Max. score:
- 4
- Reversibility:
- fully reversible within: 8 days
- Other effects:
- - scars in all animals
- suppuration in one animal
- pupil contraction in one animal
Any other information on results incl. tables
Results:
cornea | iris | conjunctiva | calculated irritation scores | ||||||||||
time | animal | opacity | area | redness | turgor/swelling | secretion | other | cornea | iris | conjunctiva | total | mean | |
24 h | 1 | 1 | 4 | 0 | 2 | 2 | 2 | scar | 20 | 0 | 12 | 32 | 33,67 |
2 | 1 | 4 | 0 | 2 | 2 | 2 | scar | 20 | 0 | 12 | 32 | ||
3 | 1 | 4 | 1 | 2 | 2 | 2 | scar | 20 | 5 | 12 | 37 | ||
4 | 1 | 4 | 0 | 2 | 2 | 2 | scar | 20 | 0 | 12 | 32 | ||
5 | 1 | 4 | 1 | 2 | 2 | 2 | scar | 20 | 5 | 12 | 37 | ||
6 | 1 | 4 | 0 | 2 | 2 | 2 | scar | 20 | 0 | 12 | 32 | ||
48 h | 1 | 1 | 4 | 0 | 1 | 1 | 1 | scar | 20 | 0 | 6 | 26 | 29,00 |
2 | 1 | 4 | 0 | 2 | 2 | 2 | scar | 20 | 0 | 12 | 32 | ||
3 | 1 | 4 | 1 | 2 | 2 | 3 | scar/suppuration | 20 | 5 | 14 | 39 | ||
4 | 1 | 4 | 0 | 2 | 1 | 1 | scar | 20 | 0 | 8 | 28 | ||
5 | 1 | 3 | 0 | 1 | 1 | 1 | scar | 15 | 0 | 6 | 21 | ||
6 | 1 | 4 | 0 | 2 | 1 | 1 | scar/pupil contraction | 20 | 0 | 8 | 28 | ||
72 h | 1 | 1 | 4 | 0 | 1 | 1 | 1 | scar | 20 | 0 | 6 | 26 | 28,83 |
2 | 1 | 4 | 1 | 2 | 1 | 2 | scar | 20 | 5 | 10 | 35 | ||
3 | 1 | 4 | 1 | 2 | 2 | 3 | scar/suppuration | 20 | 5 | 14 | 39 | ||
4 | 1 | 4 | 0 | 1 | 0 | 1 | scar | 20 | 0 | 4 | 24 | ||
5 | 1 | 3 | 0 | 1 | 1 | 1 | scar | 15 | 0 | 6 | 21 | ||
6 | 1 | 4 | 0 | 2 | 1 | 1 | scar/pupil contraction | 20 | 0 | 8 | 28 | ||
8 d | 1 | 0 | 0 | 0 | 0 | 0 | 0 | scar | 0 | 0 | 0 | 0 | 5,17 |
2 | 1 | 1 | 0 | 2 | 0 | 1 | scar | 5 | 0 | 6 | 11 | ||
3 | 0 | 0 | 0 | 1 | 0 | 1 | scar | 0 | 0 | 4 | 4 | ||
4 | 1 | 1 | 0 | 1 | 0 | 0 | scar | 5 | 0 | 2 | 7 | ||
5 | 1 | 1 | 0 | 1 | 0 | 0 | scar | 5 | 0 | 2 | 7 | ||
6 | 0 | 0 | 0 | 1 | 0 | 0 | scar | 0 | 0 | 2 | 2 | ||
Mean 24-72 h | 1 | 1.0 | 4.0 | 0.0 | 1.3 | 1.3 | 1.3 | 20.0 | 0.0 | 8.0 | 28.0 | ||
2 | 1.0 | 4.0 | 0.3 | 2.0 | 1.7 | 2.0 | 20.0 | 1.7 | 11.3 | 33.0 | |||
3 | 1.0 | 4.0 | 1.0 | 2.0 | 2.0 | 2.7 | 20.0 | 5.0 | 13.3 | 38.3 | |||
4 | 1.0 | 4.0 | 0.0 | 1.7 | 1.0 | 1.3 | 20.0 | 0.0 | 8.0 | 28.0 | |||
5 | 1.0 | 3.3 | 0.3 | 1.3 | 1.3 | 1.3 | 16.7 | 1.7 | 8.0 | 26.3 | |||
6 | 1.0 | 4.0 | 0.0 | 2.0 | 1.3 | 1.3 | 20.0 | 0.0 | 9.3 | 29.3 | |||
Mean 24-72 h | 1 | 3.89 | 0.28 | 1.72 | 1.44 | 1.67 | 19.4 | 1.4 | 9.7 | 30.5 |
24h after application of 0,1 ml of test substance:
slight opacity of complete cornea and in 2/6 cases ciliary injections;
all animals: distinct redness and turgor/swelling of conjunctiva, increased secretion of tears and scarred retractions at the eyelid
72h:
redness and turgor of conjunctiva and secretion in regression
8d:
3/6 animals show very light opacity of small areas of cornea,
5/6 show slight redness of conjunctiva,
2/6 show slightly increased secretion of tears,
1/6 shows temporary suppuration,
1/6 shows temporary contraction of the pupil;
all animals: irreversible scarred alterations of the eyelid
primary irritation score: 31 -> moderately irritating
Applicant's summary and conclusion
- Interpretation of results:
- Category 2A (irritating to eyes) based on GHS criteria
- Remarks:
- Criteria used for interpretation of results: EU
- Conclusions:
- The test material induced mean corneal opacity scores (24/48/72 hr) of 1 in 6/6 rabbits. Therefore, according the CLP criteria, the substance is classified as Eye irritation, Category 2.
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.