Bornan-2-one

Eye irritation

Administrative data

Endpoint:

eye irritation, other

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) .

Data source

Reference

Reference Type:

other:

Title:

No information

Year:

2012

Bibliographic source:

QSAR toolbox v3.0

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: read-across

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Methylcyclopentane

EC Number:

202-503-2

EC Name:

Methylcyclopentane

Cas Number:

96-37-7

IUPAC Name:

methylcyclopentane

Constituent 2

Reference substance name:

2-methylpentane

EC Number:

203-523-4

EC Name:

2-methylpentane

Cas Number:

107-83-5

IUPAC Name:

2-methylpentane

Constituent 3

Reference substance name:

2,6-dimethylheptan-4-one

EC Number:

203-620-1

EC Name:

2,6-dimethylheptan-4-one

Cas Number:

108-83-8

IUPAC Name:

2,6-dimethylheptan-4-one

Constituent 4

Reference substance name:

3,3-dimethylpentane

EC Number:

209-230-8

EC Name:

3,3-dimethylpentane

Cas Number:

562-49-2

IUPAC Name:

3,3-dimethylpentane

Constituent 5

Reference substance name:

3-methylhexane

EC Number:

209-643-3

EC Name:

3-methylhexane

Cas Number:

589-34-4

IUPAC Name:

3-methylhexane

Constituent 6

Reference substance name:

Methyl pivalate

EC Number:

209-959-1

EC Name:

Methyl pivalate

Cas Number:

598-98-1

IUPAC Name:

methyl pivalate

Constituent 7

Reference substance name:

Heptan-2-one

EC Number:

203-767-1

EC Name:

Heptan-2-one

Cas Number:

110-43-0

IUPAC Name:

heptan-2-one

Constituent 8

Reference substance name:

4-methylpentan-2-one

EC Number:

203-550-1

EC Name:

4-methylpentan-2-one

Cas Number:

108-10-1

IUPAC Name:

4-methylpentan-2-one

Constituent 9

Reference substance name:

Butanone

EC Number:

201-159-0

EC Name:

Butanone

Cas Number:

78-93-3

Molecular formula:

C4H8O

IUPAC Name:

butan-2-one

Constituent 10

Reference substance name:

Dodecane

EC Number:

203-967-9

EC Name:

Dodecane

Cas Number:

112-40-3

IUPAC Name:

dodecane

Details on test material:

NO. CAS Molecular formular Molecular weight Smiles notation: Descriptor(s) Endpoint(s)
log Kow MMAS
1 96-37-7 C6H12 84.16 CC1CCCC1 3.10 3.70
2 107-83-5 C6H14 86.18 CCCC(C)C 3.21 2.00
3 108-83-8 C9H18O 142.24 CC(C)CC(=O)CC(C)C 2.56 0.700
4 562-49-2 C7H16 100.2 CC(C)(CC)CC 3.67 0.00
5 589-34-4 C7H16 100.2 CCCC(C)CC 3.71 0.700
6 598-98-1 C6H12O2 116.16 COC(=O)C(C)(C)C 1.74 2.70
7 110-43-0 C7H14O 114.19 CCCCCC(=O)C 1.73 10.5
8 108-10-1 C6H12O 100.16 CC(C)CC(=O)C 1.16 16.3
9 78-93-3 C4H8O 72.11 CCC(=O)C 0.256 4.80
10 112-40-3 C12H26 170.33 CCCCCCCCCCCC 6.23 50.0

Results and discussion

In vivo

Results

Irritation parameter:

maximum mean total score (MMTS)

Basis:

mean

Score:

1.43

Remarks on result:

other: no data for time point

Applicant's summary and conclusion

Interpretation of results:

not irritating

Remarks:

Migrated information