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EC number: 203-662-0 | CAS number: 109-29-5
- 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
Oxacycloheptadecan-2-one is not irritating to skin and eyes.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vitro / ex vivo
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- an in vitro skin irritation study does not need to be conducted because adequate data from an in vivo skin irritation study are available
- Endpoint:
- skin irritation: in vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 28 November 1994 - 13 December 1994
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 404 (Acute Dermal Irritation / Corrosion)
- Version / remarks:
- 1992
- Deviations:
- yes
- Remarks:
- The study was extended to investigate 5 different concentrations of the test article and a vehicle control on each animal
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.4 (Acute Toxicity: Dermal Irritation / Corrosion)
- Version / remarks:
- 29 December 1992
- Deviations:
- yes
- Remarks:
- The study was extended to investigate 5 different concentrations of the test article and a vehicle control on each animal
- GLP compliance:
- yes
- Specific details on test material used for the study:
- STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: at room temperature in the dark
- Stability under test conditions: stable
- Solubility and stability of the test substance in the solvent/vehicle: soluble in ethanol/diethyl phthalate 1:1 (w/w) - Species:
- rabbit
- Strain:
- other: Mol:Russian
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Mollegaard Breeding and Research Centre A/S, Ejby, DK-4623 Lille Skensved
- Weight at study initiation: 2.0-2.3 kg
- Housing: single 62 x 52 cm PPO cages with perforated floor
- Diet (e.g. ad libitum): a pelleted complete rabbit diet "Altromin 2123" from Chr. Petersen, DK-4100 Ringsted, ad libitum.
- Water (e.g. ad libitum): bottles with domestic quality drinking water acidified with hydrochloric acid to pH 2.5 in order to prevent microbial growth, ad libitum
- Acclimation period: at least 1 week
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 21 ± 3
- Humidity (%): 55 ± 15
- Air changes (per hr): 10/hour
- Photoperiod (hrs dark / hrs light): 12/12
IN-LIFE DATES: From: 28-11-1994 To: 13-12-1994 - Type of coverage:
- semiocclusive
- Preparation of test site:
- clipped
- Vehicle:
- other: ethanol/diethylphthalate 1:1 (w/w)
- Controls:
- yes, concurrent vehicle
- Amount / concentration applied:
- TEST MATERIAL
- Amount(s) applied (volume or weight with unit): 0.5 mL
- Concentration (if solution): 100% (undiluted test substance), 20%, 10%, 5%, 1% in ethanol/diethylphthalate
VEHICLE
- Amount(s) applied (volume or weight with unit): 0.5 mL
NEGATIVE CONTROL
- Amount(s) applied (volume or weight): 0.5 mL ethanol/diethylphthalate 1:1 (w/w) - Duration of treatment / exposure:
- 4 hours
- Observation period:
- 1, 24, 48, 72 hours, 7 and 14 days
- Number of animals:
- 4 females
- Details on study design:
- TEST SITE
- Area of exposure: 2.5 x 2.5 cm on a total of 6 test sites: 2 anterior located, 2 centrally located and 2 posterior located. In total 5 different concentrations and a vehicle control were tested on each animal.
- % coverage: 100
- Type of wrap if used: 1 cm wide adhesive tap, fixed with Scanpor tape, 4.5 cm width, loosely wound round the truml
REMOVAL OF TEST SUBSTANCE
- Washing (if done): soap and lukewarm water
- Time after start of exposure: 4 hours
OBSERVATION TIME POINTS
(indicate if minutes, hours or days) 1, 24, 48 and 72 hours, 7 and 14 days after the end of the exposure
SCORING SYSTEM:
- Method of calculation: Draize - Irritation parameter:
- erythema score
- Remarks:
- 100% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 1.58
- Max. score:
- 4
- Reversibility:
- fully reversible within: 14 days
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- edema score
- Remarks:
- 100% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0.08
- Max. score:
- 4
- Reversibility:
- fully reversible within: 72 hours
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- erythema score
- Remarks:
- 20% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 1.5
- Max. score:
- 4
- Reversibility:
- fully reversible within: 14 days
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- edema score
- Remarks:
- 20% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0.08
- Max. score:
- 4
- Reversibility:
- fully reversible within: 72 hours
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- erythema score
- Remarks:
- 10% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0.92
- Max. score:
- 4
- Reversibility:
- fully reversible within: 14 days
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- edema score
- Remarks:
- 10% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: no edema observed in any animal at all time points
- Remarks on result:
- no indication of irritation
- Irritation parameter:
- erythema score
- Remarks:
- 5% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0.415
- Max. score:
- 4
- Reversibility:
- fully reversible within: 14 days
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- edema score
- Remarks:
- 5% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: no edema observed in any animal at any time point
- Remarks on result:
- no indication of irritation
- Irritation parameter:
- erythema score
- Remarks:
- 1% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0.92
- Max. score:
- 4
- Reversibility:
- fully reversible within: 14 days
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- edema score
- Remarks:
- 1% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: no edema observed in any animal at any time point
- Remarks on result:
- no indication of irritation
- Irritation parameter:
- erythema score
- Remarks:
- vehicle control
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- fully reversible within: 24 hours (weak erythema in 1 animal 1 hour post-exposure)
- Remarks on result:
- no indication of irritation
- Irritation parameter:
- edema score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: no edema in any animal at any time point
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- In general slight to well defined erythema was observed 1 to 72 hours after termination of exposure of 100% and 20% concentration of test article. Similarily in general slight erythema was observed 1 to 72 hours alter termination of exposure of 10%, 5% and 1% concentration of test article. Slight oedema was only observed in 1 rabbit 48 hours after termination of exposure of 100% and 20% concentration of test article. Thereafter no oedema was observed.
On day 7 and 14 dose related accumulations of scales were observed in all rabbits. On day 14 the skin of all rabbits was intact. - Interpretation of results:
- GHS criteria not met
- Conclusions:
- In the GLP-compliant guideline study, the test substance oxacyclohexadecan-2-one was not irritating to rabbit skin.
- Executive summary:
In a GLP-compliant OECD 404 guideline study, the test substance oxacyclohexadecan-2 -one was tested for skin irritation in 4 rabbits, as a neat substance, 20%, 10%, 5% and 1% solution. Each animal received in total 6 applications (5 tested concentrations and a vehicle control). The exposure was 4 hours under semi-occlusive conditions. In general slight to well defined erythema was observed 1 to 72 hours after termination of exposure of 100% and 20% concentration of test article. Similarily in general slight erythema was observed 1 to 72 hours alter termination of exposure of 10%, 5% and 1% concentration of test article. Slight oedema was only observed in 1 rabbit 48 hours after termination of exposure of 100% and 20% concentration of test article. Thereafter no oedema was observed. Based on the calculated scores (mean for erythema and oedema at 24/48/72 hours of 1.58 and 0.08, respectively) for the neat substance no classification of oxacyclohexadecan-2-one for skin irritation is warranted according to Regulation 1272/2008/EC.
- Endpoint:
- skin irritation: in vivo
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The read-across source chemical oxacyclohexadecan-2-one and the target chemical oxacycloheptadecan-2-one are structural homologues of each other, with the only difference between the two being one additional carbon atom in the cyclic aliphatic chain (C15 and C16, respectively). Considering a very long aliphatic chain in both substances, the presence of additional carbon atom (CH2 moiety) in oxacycloheptadecan-2-one is not expected to influence its toxicological properties in comparison to oxacyclohexadecan-2-one. Therefore read-across from oxacyclohexadecan-2-one to oxacycloheptadecan-2-one is considered to be justified.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
Both substances are mono-constituent substances of high purity (details on purity are provided in the confidential sections of the robust study summaries) and do not contain toxicologically relevant impurities which could influence their toxicological behavior.
3. ANALOGUE APPROACH JUSTIFICATION
The read-across source chemical oxacyclohexadecan-2-one and the target chemical oxacycloheptadecan-2-one are structural homologues of each other, with the only difference between the two being one additional carbon atom in the cyclic aliphatic chain (C15 and C16, respectively). Considering a very long aliphatic chain in both substances, the presence of additional carbon atom (CH2 moiety) in oxacycloheptadecan-2-one is not expected to influence its toxicological properties in comparison to oxacyclohexadecan-2-one. This is confirmed by the available data on both substances (see data matrix) which confirm nearly identical physico-chemical and (eco)toxicological properties for all endpoints. There are no additional functional groups present in oxacyclohexadecan-2-one which may influence its skin irritating properties. Both substances have comparable physico-chemical properties, i.e. high log Pow (> 4) and poor water solubility (< 1 mg/L), thus their ability to penetrate the skin is expected to be comparable. Therefore read-across from oxacyclohexadecan-2-one to oxacycloheptadecan-2-one is considered to be justified.
4. DATA MATRIX (data on oxacyclohexadecan-2-one taken from its dissiminated REACH dossier available on the ECHA website):
Substance Oxacycloheptadecan-2-one Oxacyclohexadecan-2-one
Molecular formula C16H30O2 C15H28O2
Molecular weight 254.4 240.38 g/mol
Melting point 35 °C 34.6 °C
Boiling point 265-275 °C 325 °C
Water solubility 0.103 mg/L 0.34 mg/L
Log Pow 7.3 5.79
Vapour pressure <= 0.053 Pa at 25 °C 0.085 Pa at 25 °C
Acute oral toxicity LD50 > 5000 mg/kg bw LD50 > 5000 mg/kg bw
Acute dermal toxicity LD50 > 5000 mg/kg bw LD50 > 5000 mg/kg bw
Skin irritation Read-across Not irritating
Eye irritation Not irritating Not irritating
Skin sensitization Read-across Not sensitizing
Repeated dose toxicity NOAEL > 1000 mg/kg bw/day NOAEL > 1000 mg/kg bw/day
Reproductive toxicity NOAEL > 1000 mg/kg bw/day NOAEL > 1000 mg/kg bw/day
Developmental toxicity NOAEL > 1000 mg/kg bw/day NOAEL > 1000 mg/kg bw/day
Toxicity to fish 96-h LC50 > solubility limit EC50 > solubility limit
Toxicity to daphnia Read-across 48-h EC50 > 0.17 mg/L
Toxicity to algae 72-h ErC50 > 0.004 mg/L 72h ErC50 > 0.47 mg, 72h ErC10 = 0.42 mg/L - Reason / purpose for cross-reference:
- read-across source
- Irritation parameter:
- erythema score
- Remarks:
- 100% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 1.58
- Max. score:
- 4
- Reversibility:
- fully reversible within: 14 days
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- edema score
- Remarks:
- 100% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0.08
- Max. score:
- 4
- Reversibility:
- fully reversible within: 72 hours
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- erythema score
- Remarks:
- 20% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 1.5
- Max. score:
- 4
- Reversibility:
- fully reversible within: 14 days
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- edema score
- Remarks:
- 20% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0.08
- Max. score:
- 4
- Reversibility:
- fully reversible within: 72 hours
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- erythema score
- Remarks:
- 10% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0.92
- Max. score:
- 4
- Reversibility:
- fully reversible within: 14 days
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- edema score
- Remarks:
- 10% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: no edema observed in any animal at all time points
- Remarks on result:
- no indication of irritation
- Irritation parameter:
- erythema score
- Remarks:
- 5% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0.415
- Max. score:
- 4
- Reversibility:
- fully reversible within: 14 days
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- edema score
- Remarks:
- 5% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: no edema observed in any animal at any time point
- Remarks on result:
- no indication of irritation
- Irritation parameter:
- erythema score
- Remarks:
- 1% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0.92
- Max. score:
- 4
- Reversibility:
- fully reversible within: 14 days
- Remarks on result:
- probability of weak irritation
- Irritation parameter:
- edema score
- Remarks:
- 1% test substance
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: no edema observed in any animal at any time point
- Remarks on result:
- no indication of irritation
- Irritation parameter:
- erythema score
- Remarks:
- vehicle control
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- fully reversible within: 24 hours (weak erythema in 1 animal 1 hour post-exposure)
- Remarks on result:
- no indication of irritation
- Irritation parameter:
- edema score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Reversibility:
- other: no edema in any animal at any time point
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- In general slight to well defined erythema was observed 1 to 72 hours after termination of exposure of 100% and 20% concentration of test article. Similarily in general slight erythema was observed 1 to 72 hours alter termination of exposure of 10%, 5% and 1% concentration of test article. Slight oedema was only observed in 1 rabbit 48 hours after termination of exposure of 100% and 20% concentration of test article. Thereafter no oedema was observed.
On day 7 and 14 dose related accumulations of scales were observed in all rabbits. On day 14 the skin of all rabbits was intact. - Interpretation of results:
- GHS criteria not met
- Conclusions:
- In the GLP-compliant guideline study, the read-across analogue test substance oxacyclohexadecan-2-one was not irritating to rabbit skin. These results can be read across to oxacycloheptadecan-2-one.
- Executive summary:
In a GLP-compliant OECD 404 guideline study, the read-across analogue test substance oxacyclohexadecan-2 -one was tested for skin irritation in 4 rabbits, as a neat substance, 20%, 10%, 5% and 1% solution. Each animal received in total 6 applications (5 tested concentrations and a vehicle control). The exposure was 4 hours under semi-occlusive conditions. In general slight to well defined erythema was observed 1 to 72 hours after termination of exposure of 100% and 20% concentration of test article. Similarily in general slight erythema was observed 1 to 72 hours alter termination of exposure of 10%, 5% and 1% concentration of test article. Slight oedema was only observed in 1 rabbit 48 hours after termination of exposure of 100% and 20% concentration of test article. Thereafter no oedema was observed. Based on the calculated scores (mean for erythema and oedema at 24/48/72 hours of 1.58 and 0.08, respectively) for the neat substance no classification of oxacyclohexadecan-2-one for skin irritation is warranted according to Regulation 1272/2008/EC. These results can be read across to oxacycloheptadecan-2-one.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
In a GLP-compliant OECD 404 guideline study performed with a structural analogue of oxacycloheptadecan-2 -one, oxacyclohexadecan-2 -one, the test substance was tested for skin irritation in 4 rabbits as a neat substance, 20%, 10%, 5% and 1% solution. Each animal received in total 6 applications (5 tested concentrations and a vehicle control). The exposure was 4 hours under semi-occlusive conditions. In general slight to well defined erythema was observed 1 to 72 hours after termination of exposure of 100% and 20% concentration of test article. Similarily in general slight erythema was observed 1 to 72 hours alter termination of exposure of 10%, 5% and 1% concentration of test article. Slight oedema was only observed in 1 rabbit 48 hours after termination of exposure of 100% and 20% concentration of test article. Thereafter no oedema was observed. Based on the calculated scores (mean for erythema and oedema at 24/48/72 hours of 1.58 and 0.08, respectively) for the neat substance oxacyclohexadecan-2-one is considered to be not irritating to rabbit skin. This conclusion can be read across to oxacycloheptadecan-2 -one.
In a Bovine Corneal Opacity and Permeability test (BCOP) performed with oxacycloheptadecan-2-one according to OECD guideline 437 and GLP principles, undiluted test substance did not induce ocular irritation through opacity or permeability, resulting in a mean in vitro irritancy score of -0.7 after 10 minutes of treatment.
The mean in vitro irritancy score of the positive control (ethanol) was 61.8, and the mean in vitro irritancy score of the negative control (physiological saline) was -0.8. It was therefore concluded that the test conditions were adequate and that the test system functioned properly. Since oxacycloheptadecan-2-one induced an IVIS ≤ 3, the substance was concluded to be not irritating to eyes.
Justification for classification or non-classification
Based on mean erythema and oedema scores at 24, 48 and 72 hours of 1.58 and 0.08 in the in vivo skin irritation study with a structural analogue oxacyclohexadecan-2 -one and the IVIS score of -0.7 in a BCOP test with oxacycloheptadecan-2 -one, classification for skin and eye irritation is not warranted according to Regulation (EC) 1272/2008.
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.