4-methylstyrene

Flash point

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

flash point of flammable liquids

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Study period:

1983

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Justification for type of information:

The study with the read across substance is considered sufficient to fulfil the information requirements.

Reason / purpose for cross-reference:

read-across source

Qualifier:

no guideline available

Principles of method if other than guideline:

Cleveland open cup

GLP compliance:

not specified

Type of method:

open cup

Key result

Flash point:

ca. 60 °C

Atm. press.:

ca. 1 atm

Interpretation of results:

Category 3 (flammable liquids) based on GHS criteria

Conclusions:

Under the study conditions, the flash point of the test substance was ca. 60°C (Cleveland open cup method).

Executive summary:

A study was conducted to determine the flash point of the read across substance, vinyl toluene, according to the Cleveland open cup method. The measured value was obtained from a reliable literature source, the Encyclopedia of Chemical Technology. Based on the results of study, the flash point of the test substance was ca. 60°C (Kirk-Othmer, 1983).

Reference 2

Endpoint:

flash point of flammable liquids

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

The substance falls within the applicability domain of the selected (Q)SAR method.

Qualifier:

according to guideline

Guideline:

other: Toxicity Estimation Software Tool (v 4.2)

GLP compliance:

no

Key result

Flash point:

53.01 °C

Remarks on result:

other: consensus method

Predicted flash point for the test substance is established from Consensus method at 53°C. Estimated value is a mean of three systemic methods (hierarchical clustering, group contribution and nearest neighbor). The test substance was present in the training set. Found similarity coefficient was below ≥0.5 indicating reliable model prediction.

Individual predictions:

Method	Predicted value °C
Hierarchical clustering	48.19
Group contribution	63.98
Nearest neighbor	46.87

Chemicals	Mean absolute error in °C
Entire set	16.91
Similarity coefficient ≥0.5	4.64

Interpretation of results:

Category 3 (flammable liquids) based on GHS criteria

Conclusions:

Under the study conditions, the derived flash point of the test substance was 53°C.

Executive summary:

A study was conducted to determine the flash point of the test substance by modelling using the consensus method of the Toxicity Estimation Software Tool (T.E.S.T.) of the US EPA. The estimated value was a mean of three systemic methods. The test substance was present in the training set of the model and the similarity coefficient indicated reliability of the prediction. Under the study conditions, the derived flash point of the test substance was 53°C (US EPA, 2017).

Description of key information

Determination of the flash point based on the results for the read across substance, vinyl toluene (Kirk-Othmer, 1983) and by modelling (T.E.S.T. v 4.2) (US EPA, 2017).

Key value for chemical safety assessment

Flash point at 101 325 Pa:

53 °C

Additional information

Read across substance: 60°C

T.E.S.T. modelling: 53°C