Reaction product of n-nonanoic acid (C9), n-heptanoic acid (C7), n-pentanoic acid (C5), mixed tetraesters with pentaerythritol, and 3,5,5-trimethylhexanoic acid

Explosiveness

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

explosiveness

Type of information:

experimental study

Adequacy of study:

key study

Study period:

29 September 2003

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study performed using EU test guidelines in compliance with GLP.

Qualifier:

according to guideline

Guideline:

EU Method A.14 (Explosive properties)

Deviations:

not specified

GLP compliance:

yes

Key result

Parameter:

other: Explosive (not specified)

Remarks on result:

negative (not further specified)

For each of the possible esters in Hatcol 2352, a different oxygen balance can be calculated. As all fatty acids contain only carbon and hydrogen atoms and no oxygen atoms, the oxygen balance is only determined by the size of the fatty acid chain. The worst case scenario is represented by the ester with only the smallest fatty acid (R = (CH2)5CH3). This compound hasmolecular formula C₃₃H₆O₈and a molecular weight of 584.8 g/mol. The calculated oxygenbalance for this compound is -241 %. Hence all components in Hatcol 2352 have an oxygen balance of < -200% and this is outside the region of potential for explodabilty.

Interpretation of results:

non explosive

Remarks:

Migrated information

Conclusions:

Hatcol 2352 is not explosive.

Executive summary:

The procedure for the determination of the explosive properties is described in the followingguideline:

European Economy Community (EEC), EEC-Directive 92/69 EEC, Part A, Methods for the determination of physico-chemical properties, A.14 "Explosive properties", EEC Publication No.

L383, December 1992.

The molecular structure of Hatcol 2352 does not contain any chemically instable or highly energetic groups that might lead to an explosion and Hatcol 2352 has an oxygen balance of < 200%. Hatcol 2352 is therefore not explosive.

Reference 2

Endpoint:

explosiveness

Type of information:

experimental study

Adequacy of study:

key study

Study period:

23 September 2002

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study performed in accordance with EU test guidelines in compliance with GLP.

Qualifier:

according to guideline

Guideline:

EU Method A.14 (Explosive properties)

Deviations:

not specified

GLP compliance:

yes

Key result

Parameter:

other: Explosive (not specified)

Remarks on result:

negative (not further specified)

Result determined by structural formula analysis.

Interpretation of results:

non explosive

Remarks:

Migrated information

Conclusions:

From the structural formula of Hatcol 3331 it can be concluded that the substance is not explosive.

Executive summary:

The purpose of the study was to evaluate the explosive properties of the test substance.

The study procedure described in this report is based on the following guideline: European Economy Community (EEC), EEC-Directive 92/69 EEC, Part A, Methods for the determination of physico-chemical properties, A.14 "Explosive properties", EEC Publication No. L383, December 1992.

From the structural formula of Hatcol 3331 it can be concluded that the substance is not explosive. The substance does not contain any chemically instable or highly energetic groups that might lead to an explosion.

Reference 3

Endpoint:

explosiveness

Type of information:

experimental study

Adequacy of study:

key study

Study period:

23 September 2002

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study performed in accordance with EU test guidelines in compliance with GLP.

Qualifier:

according to guideline

Guideline:

EU Method A.14 (Explosive properties)

Deviations:

not specified

GLP compliance:

yes

Key result

Parameter:

other: Explosive (not specified)

Remarks on result:

negative (not further specified)

From the structural formula of Hatcol 3344 it can be concluded that thesubstance is not explosive. The substance does not contain any chemically instable or highly energetic groups that might lead to an explosion.

Interpretation of results:

non explosive

Remarks:

Migrated information

Conclusions:

From the structural formula of Hatcol 3344 it can be concluded that the substance is not explosive. The substance does not contain any chemically instable or highly energetic groups that might lead to an explosion.

Executive summary:

The purpose of the study was to evaluate the explosive properties of the test substance.

The study procedure described in this report is based on the following guideline: European Economy Community (EEC), EEC-Directive 92/69 EEC, Part A, Methods for the determination of physico-chemical properties, A.14 "Explosive properties", EEC Publication No. L383, December 1992.

 

From the structural formula of Hatcol 3344 it can be concluded that thesubstance is not explosive. The substance does not contain any chemically instable or highly energetic groups that might lead to an explosion.

Reference 4

Endpoint:

explosiveness

Type of information:

experimental study

Adequacy of study:

key study

Study period:

May 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: This study has been performed according to EC guideline. No mention of GLP principles. Based on the molecular structure a statement rather than a full study was considered sufficient to cover this endpoint.

Qualifier:

equivalent or similar to guideline

Guideline:

EU Method A.14 (Explosive properties)

Principles of method if other than guideline:

REACH guidance with regards to explosivity was applied: A study does not need to be conducted if:– there are no chemical groups associated with explosive properties present in the molecule; or– the substance contains chemical groups associated with explosive properties which include oxygen and the calculated oxygen balance is less than –200; or– the organic substance or a homogenous mixture of organic substances contains chemical groups associated with explosive properties, but the exothermic decomposition energy is less than 500 J/g and the onset of exothermic decomposition is below 500 ºC; or– for mixtures of inorganic oxidising substances (UN Division 5.1) with organic materials, the concentration of the inorganic oxidising substance is:– less than 15 %, by mass, if assigned to UN Packaging Group I (high hazard) or II (medium hazard)– less than 30 %, by mass, if assigned to UN Packaging Group III (low hazard).Oxygen balance is an expression that is used to indicate the degree to which an explosive can be oxidized. If an explosive molecule contains just enough oxygen to convert all of its carbon to carbon dioxide, all of its hydrogen to water, and all of its metal to metal oxide with no excess, the molecule is said to have a zero oxygen balance. The molecule is said to have a positive oxygen balance if it contains more oxygen than is needed and a negative oxygen balance if it contains less oxygen than is needed. The sensitivity, strength, and brisance of an explosive are all somewhat dependent upon oxygen balance and tend to approach their maximums as oxygen balance approaches zero.The oxygen balance is calculated from the empirical formula of a compound in percentage of oxygen required for complete conversion of carbon to carbon dioxide, hydrogen to water, and metal to metal oxide.When using oxygen balance to predict properties of one explosive relative to another, it is to be expected that one with an oxygen balance closer to zero will be potentially explosive; however, many exceptions to this rule do exist. Consideration of potentially explosive groups therefore also needs to be undertaken

GLP compliance:

not specified

Key result

Parameter:

other: Explosive (not specified)

Remarks:

migrated information

Remarks on result:

negative (not further specified)

Remarks:

based on structure evaluation and oxygen balance value

OVERALL SUMMARY

Substance Name: Decanoic acid, mixed esters with heptanoic acid, octanoic acid and trimethylolpropane

CAS No: 68130 -53 -0

EINECS / ELINCS No: 268 -596 -7

Structural Alerts: None

Oxygen Balance Value (smallest ester group): -248.15

Oxygen Balance Value (largest ester group): -268.04

Potentially Explosive? No

Interpretation of results:

non explosive

Remarks:

Migrated information

Conclusions:

Based on the information and review of the smallest and largest possible trimethylolpropane esters evaluated, the substance is deemed not to be potentially explosive, based on the chemical structure and oxygen balance values.

Description of key information

Result determined using EU Test Guideline A14.

Key value for chemical safety assessment

Explosiveness:

non explosive

Additional information

HATCOL 2352

The molecular structure of Hatcol 2352 does not contain any chemically instable or highly energetic groups that might lead to an explosion and Hatcol 2352 has an oxygen balance of < 200%. Hatcol 2352 is therefore not explosive.

 

HATCOL 3331

From the structural formula of Hatcol 3331 it can be concluded that the substance is not explosive. The substance does not contain any chemically instable or highly energetic groups that might lead to an explosion.

 

HATCOL 3344 

From the structural formula of Hatcol 3344 it can be concluded that the substance is not explosive. The substance does not contain any chemically instable or highly energetic groups that might lead to an explosion.

HATCOL 1510

Based on the information and review of the smallest and largest possible trimethylolpropane esters evaluated, the substance is deemed not to be potentially explosive, based on the chemical structure and oxygen balance values.