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Administrative data

Description of key information

Key value for chemical safety assessment

Skin irritation / corrosion

Link to relevant study records
Reference
Endpoint:
skin irritation / corrosion, other
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Principles of method if other than guideline:
Derek for windovs - Irritation of the skin
227 Allyl halide - Plausible skin irritation
GLP compliance:
no
Specific details on test material used for the study:
LogP=3.546 and LogKp is predicted to be -1.158cm/hr which falls within the cut off set for skin permeability.

Allyl halides are particularly irritating to eyes. Evaporation of volatile halides may reduce skin and eye irritation.

Allyl iodide is classified under EC regulations as corrosive (R34). The irritancy of allyl halides is highly dependent on the solubility in hydrophilic and lipophilic media and is sensitive to substituent types and position which influence reactivity as well as tissue penetration properties.

N.B. A structural alert for irritancy indicates some potential for this effect. Additionally, except for highly reactive corrosive substances, the skin and eye irritation potential of a chemical is very dependent on physicochemical properties which influences the concentrations at and exposure to component tissues. Skin penetration is favoured by relatively lipophilic molecules (Log

P(octanol/water)= 1-4) of low molecular weight (<500). For many classes of chemicals (e.g. aliphatic amines) eye irritation is greatest for the more water soluble compounds which readily dissolve in the aqueous tear film on the cornea and conjunctiva.

Liquid substances (cf.solids) have good tissue contact and are more likely to be irritating, particularly to the skin. Highly reactive corrosive chemicals may penetrate tissue as a result of corrosive damage with a lower dependence on solubility characteristics.

Interpretation of results:
other: slightly irritating
Conclusions:
The substance Reaction mass of of (2E)-1-chloro-6,6-dimethyl-2-Hepten-4-yne and (2Z)-1-chloro-6,6-dimethyl-2- Hepten-4-yne was predicted to have LogKp= -1.158cm/hr which falls within the cut off set for skin permeability. The substance should be classified for skin irritation.
Endpoint conclusion
Endpoint conclusion:
adverse effect observed (irritating)

Eye irritation

Link to relevant study records
Reference
Endpoint:
eye irritation, other
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Principles of method if other than guideline:
Derek for windovs - Irritation of the skin
227 Allyl halide - Plausible skin irritation
GLP compliance:
no
Specific details on test material used for the study:
LogP=3.546 and LogKp is predicted to be -1.158cm/hr which falls within the cut off set for skin permeability.

Allyl halides are particularly irritating to eyes. Evaporation of volatile halides may reduce skin and eye irritation.

Allyl iodide is classified under EC regulations as corrosive (R34). The irritancy of allyl halides is highly dependent on the solubility in hydrophilic and lipophilic media and is sensitive to substituent types and position which influence reactivity as well as tissue penetration properties.

N.B. A structural alert for irritancy indicates some potential for this effect. Additionally, except for highly reactive corrosive substances, the skin and eye irritation potential of a chemical is very dependent on physicochemical properties which influences the concentrations at and exposure to component tissues. Skin penetration is favoured by relatively lipophilic molecules (Log P(octanol/water)= 1-4) of low molecular weight (<500). For many classes of chemicals (e.g. aliphatic amines) eye irritation is greatest for the more water soluble compounds which readily dissolve in the aqueous tear film on the cornea and conjunctiva.

Liquid substances (cf.solids) have good tissue contact and are more likely to be irritating, particularly to the skin. Highly reactive corrosive chemicals may penetrate tissue as a result of corrosive damage with a lower dependence on solubility characteristics.

Interpretation of results:
other: slightly irritating
Conclusions:
The substance Reaction mass of of (2E)-1-chloro-6,6-dimethyl-2-Hepten-4-yne and (2Z)-1-chloro-6,6-dimethyl-2- Hepten-4-yne was predicted to have LogKp= -1.158cm/hr which falls within the cut off set for skin permeability. The substance should be classified for skin irritation.
Endpoint conclusion
Endpoint conclusion:
adverse effect observed (irritating)

Respiratory irritation

Endpoint conclusion
Endpoint conclusion:
no study available

Additional information

Justification for classification or non-classification

The substance Reaction mass of of (2E)-1-chloro-6,6-dimethyl-2-Hepten-4-yne and (2Z)-1-chloro-6,6-dimethyl-2- Hepten-4-yne was predicted to have LogKp= -1.158cm/hr which falls within the cut off set for

skin permeability. The substance should be classified for skin irritation.

The substance Reaction mass of of (2E)-1-chloro-6,6-dimethyl-2-Hepten-4-yne and (2Z)-1-chloro-6,6-dimethyl-2- Hepten-4-yne was predicted to have LogKp= -1.158cm/hr which falls within the cut off set for

skin permeability. The substance should be classified for eye irritation.