Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl propionate

Auto flammability

Link to relevant study record(s)

Reference

Endpoint:

auto-ignition temperature (liquids)

Type of 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: read-across from a guideline study

Justification for type of information:

The autoflammability of Isobornyl propionate is based on read-across from Cyclaprop. The documentation is presented in the Endpoint summary of Environmental fate and pathways. Please refer to the read-across justification document in section 13.

Reason / purpose for cross-reference:

read-across source

Key result

Auto-ignition temperature:

465 °C

Atm. press.:

>= 1 018.3 - <= 1 026.9 hPa

Remarks on result:

other: The lowest temperature at which ignition of the test substance occurred was 466°C.This temperature was rounded off to the nearest multiple of 5°C giving an auto-ignition temperature of the test substance of 465°C.

Remarks:

Result obtained from read-across substance Cyclaprop (CAS 68912-13-0)

Description of key information

Isobornyl propionate has an autoflammability value of 465ºC based on read across from Cyclaprop.

Key value for chemical safety assessment

Autoflammability / Self-ignition temperature at 101 325 Pa:

465 °C

Additional information

For assessing the auto-flammability of Isobornyl propionate the data from Cyclaprop are used. The conclusion on the autoflammability of Cyclaprop is presented first and thereafter the read across rationale will be presented.

Cyclaprop has an autoflammability of 465oC tested according to an EU A.15 method.

Auto-flammability of Isobornyl propionate using read across from Cyclaprop

 

Introduction

Isobornyl propionate in an ester containing an exo-1,7,7-Trimethylbicyclo[2.2.1]heptane-2-ol (isobornyl alcohol) backbone with a propionate group. For this substance there is no experimental auto-flammability information available.According to REACH Annex XI 1.5,information can be generated by other means, i.e. applying alternative methods such as QSARs, grouping and read-across. Cyclaprop autoflammability information is used to predict the auto-flammability of Isobornyl propionate.

Hypothesis: Isobornyl propionate has auto-flammability exceeding 400o based on read across from Cyclaprop.

Available information: Cyclaprop is tested In an A15 (Rel. 1) test and has an experimental auto-flammability temperature of 465oC .

Target chemical and source chemical(s)

Chemical structures of the target chemical and the source chemical(s) are shown in the data matrix, including relevant physico-chemical properties.

Purity / Impurities

Isoborny propionate is a mono-constituent >=88%, with impurities similar to the parent substance and < 10%.

Analogue justification

According to Annex XI 1.5 read across can be used to replace testing when the similarity can be based on a common backbone and a common functional group. When using read across the result derived should be applicable for C&L and/or risk assessment and it should be presented with adequate and reliable documentation, which is presented below.

Analogue selection: For Isobornyl propionate Cyclaprop was selected as an analogue because auto-flammability information was readily available.

Structural similarities and differences: Isobornyl propionate and Cyclaprop both have a similar cyclohexyl bridged hydrocarbon backbone and a propionic ester as a functional group. The minor difference is that Isobornyl propionate has a single bridge ring with on the bridge two methyls, while Cyclaprop has these Cs in a pentyl ring attachted to the hexylring. Because these are all hydrocarbons this does not affect the auto-flammability.

Physical chemical properties: For liquids the boiling point and flashpoint are the key features for flammability. Both these properties are similar for Isobornyl propionate and Cyclaprop: 248 and 263oC, respectively, for boiling point and 100 and 119oC for Flashpoint. Based on these similarities for Isobornyl propionate a similar auto-flammability as for Cyclaprop can be predicted and results in a value of > 465oC value.

Uncertainty of the predictions: There are no remaining uncertainties other than those already addressed above.

Conclusion on hazard

For Isobornyl propionate, a liquid, no experimental information is available for auto-flammability but for Cyclaprop, a close analogue such information is available: 465oC, which can be used for read across.

Final conclusion: Isobornyl propionate has an auto-flammability 465oC.

 

Data matrix: Isobornyl propionate’s characteristics and expected autoflammability supported with experimental data from Cyclaprop.

Common names	Isobornyl propionate	Cyclaprop
Source/target	Target	Source
Chemical structures
CAS no.	2756-56-1	68912-13-0
EINECS	220-410-5	272-805-7
REACH Registration	2018	Registered (IFF)
Empirical formula	C13H22O2	C13H18O2
Molecular weight	210.32	206.28
Phys-Chem
Physical state	Liquid	Liquid
Boiling point oC	248	263
Vapour pressure in Pa	3.1	0.67
Flashpoint oC	100	119
Auto-flammability (°C)	>465 (Read across)	465 (A.15))