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Physical & Chemical properties

Density

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Link to relevant study record(s)

Reference
Endpoint:
density, other
Remarks:
density
Type of information:
experimental study
Adequacy of study:
key study
Study period:
04-09-2017 – 04-09-2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard test guidelines
Qualifier:
according to guideline
Guideline:
OECD Guideline 109 (Density of Liquids and Solids)
Principles of method if other than guideline:
The density of test item 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7- dimethylxanthylium, salt with 4,5-dihydro-5-oxo-1- (4-sulphophenyl)-4-[(4-sulphophenyl)azo]-1Hpyrazole- 3-carboxylic acid (3:1) (CAS No. 65138-66-1)was determined following OECD Guideline 109 and according to the Adapted from ASTM D854-02 using pyknometer.
GLP compliance:
no
Type of method:
pycnometer method
Specific details on test material used for the study:
- Name of test material (IUPAC name): 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium ; 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, salt with 4,5-dihydro-5-oxo-1-(4-sulphophenyl)-4-[(4-sulphophenyl)azo]-1H-pyrazole-3-carboxylic acid (3:1)
- Molecular formula: C28H31N2O3.1/3C16H9N4O9S2
- Molecular weight: 1796.09 g/mol
- Smiles notation: c1(C)c(cc2[o+]c3c(c(c4c(cccc4)C(OCC)=O)c2c1)cc(C)c(NCC)c3)NCC.C1([C@@H](\N=N/c2ccc(cc2)S([O-])(=O)=O)C(=NN1c1ccc(S([O-])(=O)=O)cc1)C([O-])=O)=O.c1(cc2c([o+]c3c(c2c2ccccc2C(OCC)=O)cc(c(NCC)c3)C)cc1NCC)C.c1(cc2c([o+]c3c(c2c2ccccc2C(OCC)=O)cc(c(NCC)c3)C)cc1NCC)C
- InChl: 1S/3C28H31N2O3.C16H12N4O9S2/c3*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h3*9-16,29-30H,6-8H2,1-5H3;1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29)/q3*+1;/p-3/b;;;18-17-
- Substance type: Organic
- Physical state: Solid
Key result
Type:
density
Density:
0.917 g/cm³
Temp.:
20 °C
Remarks on result:
other: Pressure = 970.2 hPa

CALCULATIONS:

 

Calculated values

 1st Calculation

 2nd Calculation

 Wo=WPS-WP

 9.8130  9.6600
 (WA-WB)  5.2120  -1.5050

Specific Gravity = WO/[WO +

(WA-WB)]

0.6531   1.1845
 Specific Gravity; Gs  0.6531  1.1845
 Density (g/cm³)  0.6519  1.1823
 Mean Density (g/cm³)

    0.9171

Conclusions:
The density of test item 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7- dimethylxanthylium, salt with 4,5-dihydro-5-oxo-1- (4-sulphophenyl)-4-[(4-sulphophenyl)azo]-1Hpyrazole- 3-carboxylic acid (3:1) (CAS No. 65138-66-1)was determined following OECD Guideline 109 and according to the Adapted from ASTM D854-02 using pyknometer. The mean density of the test item was determine to be 0.9171 g/cm³ and 20°C and 970.2 hPa.
Executive summary:

The density of Test item 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 - bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 - sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) (CAS No. 65138 -66 -1 ) was determined following OECD guideline 109 and according to the method adapted from ASTM D 854 -02. The mean density of the test item was determine to be 0.9171 g/cm³ and 20°C and 970.2 hPa.

Description of key information

The density of Test item 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 - bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 - sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) (CAS No. 65138 -66 -1 ) was determined following OECD guideline 109 and according to the method adapted from ASTM D 854 -02. The mean density of the test item was determine to be 0.9171 g/cm³ and 20°C and 970.2 hPa.

Key value for chemical safety assessment

Additional information

The density of Test item 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 - bis(ethylamino)-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 - sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) (CAS No. 65138 -66 -1 ) was determined following OECD guideline 109 and according to the method adapted from ASTM D 854 -02. The mean density of the test item was determine to be 0.9171 g/cm³ and 20°C and 970.2 hPa.