Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 200-945-0 | CAS number: 76-22-2
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation, other
- Remarks:
- in vivo
- Type of information:
- migrated 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: The target chemical should be classified as Bicycloheptane AND Bridged-ring carbocycles AND Cycloalkane AND Cycloketone AND Methyl by Organic Functional groups (extended) . The target substance FALLS within applicability domain
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- other:
- Title:
- No information
- Year:
- 2 012
- Bibliographic source:
- QSAR toolbox v3.0
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: read-across
- GLP compliance:
- no
- Type of study:
- not specified
Test material
- Reference substance name:
- Benzophenone
- EC Number:
- 204-337-6
- EC Name:
- Benzophenone
- Cas Number:
- 119-61-9
- IUPAC Name:
- benzophenone
- Reference substance name:
- 2-hexylcyclopentan-1-one
- EC Number:
- 235-970-6
- EC Name:
- 2-hexylcyclopentan-1-one
- Cas Number:
- 13074-65-2
- IUPAC Name:
- 2-hexylcyclopentanone
- Reference substance name:
- 7-methyl-2H-benzo-1,5-dioxepin-3(4H)-one
- EC Number:
- 249-320-4
- EC Name:
- 7-methyl-2H-benzo-1,5-dioxepin-3(4H)-one
- Cas Number:
- 28940-11-6
- IUPAC Name:
- 7-methyl-2H-1,5-benzodioxepin-3(4H)-one
- Reference substance name:
- 2-heptylcyclopentanone
- EC Number:
- 205-273-1
- EC Name:
- 2-heptylcyclopentanone
- Cas Number:
- 137-03-1
- IUPAC Name:
- 2-heptylcyclopentanone
- Reference substance name:
- 4-phenylbutenone
- EC Number:
- 204-555-1
- EC Name:
- 4-phenylbutenone
- Cas Number:
- 122-57-6
- IUPAC Name:
- 4-phenylbut-3-en-2-one
- Reference substance name:
- Camphene
- EC Number:
- 201-234-8
- EC Name:
- Camphene
- Cas Number:
- 79-92-5
- Molecular formula:
- C10H16
- IUPAC Name:
- 3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane
- Reference substance name:
- 2-acetylcyclohexanone
- EC Number:
- 212-858-5
- EC Name:
- 2-acetylcyclohexanone
- Cas Number:
- 874-23-7
- IUPAC Name:
- 2-acetylcyclohexanone
- Reference substance name:
- 152468-75-2
- Cas Number:
- 152468-75-2
- IUPAC Name:
- 152468-75-2
- Reference substance name:
- 7094-27-1
- Cas Number:
- 7094-27-1
- IUPAC Name:
- 7094-27-1
- Details on test material:
- - benzophenone 119-61-9:
- Molecular formula (if other than submission substance):C13H10O
- Molecular weight (if other than submission substance):182.22
- Smiles notation (if other than submission substance): O=C(c1ccccc1)c1ccccc1
- InChl (if other than submission substance):
- Physical state:Solid, white crystals or flakes
- skin sensitation: not sensitising
- Vapour pressure: 0.00257 hPa at 25℃
- Ethanone, 1-(1,4-dimethylcyclohexyl)- (9CI)- 152468-75-2
- Molecular formula :C10H18O
- Molecular weight:154.25
- Smiles notation:CCC=CCCCCCC=O
- log Kow: 2.91
- Skin Sensitisation: Negative
- 2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl-28940-11-6
- Molecular formula: C10H10O3
- Molecular weight:178.19
- Smiles notation:O=C1COc2c(OC1)ccc(c2)C
- log Kow:2.43
- Skin Sensitisation:Negative
-2-heptylcyclopentanone, 137-03-1
- Molecular formula:C12H22O
- Molecular weight:182.31
- Smiles notation:O=C1C(CCC1)CCCCCCC
- log Kow:4.00
- Skin Sensitisation:Negative
-Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene- 79-92-5
- Molecular formula:C10H16
- Molecular weight:136.24
- Smiles notation:C1(=C)C2CC(CC2)C1(C)C
- log Kow:4.35
- Skin Sensitisation:Negative
- 1,1,4-Trimethylcyclohexane- 7094-27-1
- Molecular formula:C9H18
- Molecular weight:126.24
- Smiles notation:CC1CCC(CC1)(C)C
- log Kow:4.46
- Skin Sensitisation:Negative
-Cyclohexanone, 2-acetyl-874-23-7
- Molecular formula:C8H12O2
- Molecular weight:140.18
- Smiles notation:O=C(C1C(=O)CCCC1)C
- log Kow:1.34
- Skin Sensitisation:Negative
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Constituent 5
Constituent 6
Constituent 7
Constituent 8
Constituent 9
Results and discussion
In vitro / in chemico
Results
- Parameter:
- other:
- Remarks on result:
- not measured/tested
- Remarks:
- this endpoint was generated by read-aross
Any other information on results incl. tables
The Logkow of the target susbtance is in the range of the values of the source susbtances.
Applicant's summary and conclusion
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated information
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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