Reaction mass of pentyl ester butanoic acid and 2-methylbutyl ester butanoic acid

Auto flammability

Link to relevant study record(s)

Reference

Endpoint:

auto-ignition temperature (liquids)

Type of information:

experimental study

Adequacy of study:

key study

Study period:

21 November 2019 - 10 January 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.15 (Auto-Ignition Temperature (Liquids and Gases))

Version / remarks:

31 May 2008

Deviations:

no

Qualifier:

according to guideline

Guideline:

ASTM E659 (Standard test method for autoignition temperature of liquid chemicals)

Version / remarks:

ASTM E659–15, Standard Test Method for Autoignition Temperature of Chemicals

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Specific details on test material used for the study:

Name: Reaction mass of 2-methylbutyrate and pentyl butyrate
EC number: 908-712-1
Description: Clear colorless to pale yellow liquid
Purity: 99.8% (multi-constituent)
35.06% - 2-Methylbutyl butyrate
64.74% - Pentyl butyrate
Storage conditions: Controlled room temperature (15-25°C, ≤70% relative humidity)
Safety precautions: Routine safety precautions (gloves, goggles, face mask, lab coat) for unknown materials were applied to ensure personnel health and safety.

Auto-ignition temperature:

350 °C

Atm. press.:

>= 97.3 - <= 97.7 kPa

RESULTS

Temperature was measured during each experiment at the outside and inside of the flask. The temperature distribution was steady outside the flask. The test was carried out at 97.3-97.7 kPa atmospheric pressure.

The measured auto-ignition temperature of the reference item (n-Heptane) was 223°C, hence the study was considered to be valid.

In the preliminary test hot-flame ignition of the test item occurred, therefore the main test was performed.

The main test was performed with a volume of 200 µL sample. The starting temperature was approximately 400°C. The temperature was reduced with small increments, until the auto-ignition temperature could be determined with an accuracy of about 3°C. The ignition delay time was determined in each case when ignition was observed.

The lowest temperature at which the sample still showed ignition was about 350°C.  This result was confirmed by control measurements: no auto-ignition occurred at about 348°C and below.

The details of the measurements are summarized in Table 1

Table 1

Test	Temperature*		Ignition	Sample	Ignition delay
	Inside of flask (°C)	External (°C)	yes (+) / no (-)	(µL)	(s)
Preliminary test	223	243	-	100	-
	304	329	-	100	-
	372	398	-	100	-
	400	422	+	100	3
Main test	400	422	+	200	3
	387	400	+	200	2
	350	361	+	200	6
	321	331	-	200	-
	334	346	-	200	-
	345	355	-	200	-
	348	358	-	200	-
	350	363	+	200	5
	348	359	-	200	-
	350	362	+	200	4

* Rounded to the nearest whole number

Conclusions:

The auto-ignition temperature of Reaction mass of 2-methylbutyl butyrate and pentyl butyrate was considered to be 350°C in air at atmospheric pressure.

Executive summary:

The auto-ignition temperature is a measure of the tendency of flammable substances to ignite in contact with hot bodies when mixed with air and makes it possible to classify them from a safety point of view.

A small sample of the liquid test item was injected into a uniformly heated 500 mL glass flask containing air at a predetermined temperature (based on the preliminary experiment).

The lowest internal flask temperature at which hot-flame ignition occurred for a series of prescribed sample volumes was taken to be the hot-flame auto-ignition temperature of the chemical in air at atmospheric pressure.

The auto-ignition temperature of Reaction mass of 2-methylbutyl butyrate and pentyl butyrate was considered to be 350°C in air at atmospheric pressure.

Description of key information

Study conducted to recognised testing guidelines with GLP certification.

Key value for chemical safety assessment

Autoflammability / Self-ignition temperature at 101 325 Pa:

350 °C

Additional information

The test was carried out at 97.3-97.7 kPa atmospheric pressure.