L-Glutamic acid, N-acetyl-, compd. with (.alpha.S)-.alpha.-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1)

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

12 January - 20 May 1999

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: A well established calculation method was used; the results is considered to be reliable.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1999

Report date:

1999

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7950 (Vapor Pressure)

GLP compliance:

not specified

Type of method:

other: Calculation method

Test material

Test material information

Constituent 1

Reference substance name:

(S)-3-Methyl-1-(2-piperidine-1-phenyl)butylamine compound with N-Acetyl-L-glutamic acid

EC Number:

606-883-4

Cas Number:

219921-94-5

Molecular formula:

C16-H26-N2 x C7-H11-N-O5

IUPAC Name:

(S)-3-Methyl-1-(2-piperidine-1-phenyl)butylamine compound with N-Acetyl-L-glutamic acid

Test material form:

solid: particulate/powder

Remarks:

migrated information: powder

Details on test material:

- Name of test material (as cited in study report): AGEE 623 Glutaminate; L-Glutamic acid, N-acetyl, compd. with (S)-alpha-(2-methylpropyl)-2-(1-piperidinyl)-benzenemethanamine
- Molecular formula (if other than submission substance): c16H26Nq*C7H11NO5
- Molecular weight (if other than submission substance): 435.57 (246.4+189.17
- Structural formula attached as image file (if other than submission substance): see reference substance
- Physical state: solid white powder
- Analytical purity: 100% measured over area (4% of (R)-(-)-enantiomer
- Lot/batch No.: T29725
- Expiration date of the lot/batch: 31 december 1999
- Stability under test conditions: pure: see expiry date
- Storage condition of test material: in original container, at room temperature, in the dark

Results and discussion

Vapour pressure

Temp.:

25 °C

Vapour pressure:

< 0 Pa

Any other information on results incl. tables

The estimation of the vapour pressure of AGEE 623 Glutaminate was based on the EEC directive 92/69,

Armex V, Part A, Methods for the determination of physico-chemical properties, A.4 "Vapour Pressure",

EEC Publication No. L383, December 1992; the OECD Guideline No. 104, "Vapour Pressure", adopted

July 27, 1995 and the Product Properties Test Guideline OPPTS 830.7950 ofthe United States Enviroment

Proteerion Agency (EPA), August 1996.

AGEE 623 Glutaminate contains two components (see mo1ecular structure). The theoretical boiling point

for each component was evaluated using the procedure as described in this report, but only the component

with the lowest boiling point was used for the further estimation of the vapour pressure.

The 1owest boiling point of the components of AGEE 623 Glutaminate was calculated to be 400 oc for the

structure-component of (S)-alpha-(2-methylpropyl)-2-(1-piperidinyl)-benzenemethanamine using

Meissner's method.

The vapour pressure of this component was calculated to be 2 · 10-7 Pa.

During the determination of the melting point I melting range of AGEE 623 Glutaminate (IBACON project

4701180), a decomposition or reaction of AGEE 623 Glutaminate was observed at about 280 °C. This

experimental result confirm, that the boiling point of AGEE 623 G1utaminate is greater than 280 °C.

Therefore, the vapour pressure of AGEE 623 Glutaminate was also calculated using 280 oc as theoretical

boiling point of AGEE 623 Glutaminate. The vapour pressure, calculated from this decomposition temperature

of AGEE 623 Glutaminate resulted in a value of < 2 · 1 o-2 Pa.

Applicant's summary and conclusion

Conclusions:

In conclusion, the vapour pressure of AGEE 623 Glutaminate was estimated to be < 2*10E-07 Pa at 25 °C based on the boiling point calculated and using the Modified Watson Correlation. From this result, it can be concluded that the vapour pressure of AGEE 623 Glutaminate is too low to have any relevant effect on the environment.