3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

Density

Link to relevant study record(s)

Reference

Endpoint:

density

Remarks:

density

Type of information:

experimental study

Adequacy of study:

key study

Study period:

29/7/2016-29/7/2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

test procedure in accordance with national standard methods

Justification for type of information:

Experimental result using standard method of analysis

Qualifier:

according to guideline

Guideline:

OECD Guideline 109 (Density of Liquids and Solids)

Principles of method if other than guideline:

The density of test item3-methyl-4-(2, 6, 6-trimethyl-2-cyclohexen-1-yl)- 3-Buten-2-one (CAS No. 127-51-5) was determined following OECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)].

GLP compliance:

no

Type of method:

pycnometer method

Specific details on test material used for the study:

- Name of test material : 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
- Common name : alpha-isomethyl ionone
- Molecular formula : C14H22O
- Molecular weight : 206.327 g/mol
- Smiles notation : C1([C@@H](\C=C(\C(C)=O)C)C(=CCC1)C)(C)C
- InChl : 1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
- Substance type : Organic
- Physical state : Liquid

Key result

Type:

density

Density:

0.931 g/cm³

Temp.:

20 °C

Remarks on result:

other: pressure=968.7 hPa

TEST ITEM DESCRIPTION AND RESULTS :

S. No.	Method Details		Observed Values
			1^stObservation	2^ndObservation
1.	Guideline	OECD 109
2.	Method	IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision)
3.	Principle of Method	Determination of the mass at a given temperature of a volume of the material contained in a density bottle (pyknometer) and determination of the volume of the latter by determining the mass of the corresponding volume of water at the same temperature. The density is obtained by dividing the mass of material by its volume.
4.	Test temperature	(°C)	20	20
5.	Atmospheric pressure	(hPa)	969.2	968.2
6.	Weight of empty dry pyknometer(X)	G	29.177	31.137
7.	Weight of pyknometer + test item(Y)	G	75.252	77.233
8.	Apparent mass of test item(M1)	(M1= Y - X)g	46.075	46.096
9.	Weight of pyknometer + water(Z)	G	78.827	80.362
10.              49.650	Apparent mass of water(M2)	(M2 = Z - X)g	49.650	49.225
11.	Buoyancy correction(A)	A=(*ρat× M2)	0.057	0.057
12.	Density of water** at test temperature	g/cm^3(ρtw)	0.9982	0.9982

*ρ_at=density of air at 27°C and 760 mm Hg pressure=0.001168 g/cm³

**Density of water referred from the Table 1 of the IS method.

CALCULATIONS:

Density = (M₁+A)  X  ρ_tw

                  (M₂₊A)

1^stcalculated density	2^ndcalculated density
(46.0751+0.057)  X 0.9982 (49.650+0.057) =0.9264	(46.096+0.057)  X  0.9982 (49.225+0.057) =0.9348
Average density	=0.9306g/cm^3

 

Conclusions:

The mean density of 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 3-Buten-2-one (CAS No. 127-51-5) is deetrmined to be 0.9306 g/cm3 at 20 deg C and 968.7 hPa .

Executive summary:

The mean density of test item3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-Buten-2-one (CAS No. 127-51-5)was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) using glass pyknometer The mean density of the test item was determine to be 0.9306 g/cm³at 20° C and 968.7 hPa.

Description of key information

The mean density of 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 3-Buten-2-one (CAS No. 127-51-5) is deetrmined to be 0.9306 g/cm3 at 20 deg C and 968.7 hPa .

Key value for chemical safety assessment

Relative density at 20C:

0.931

Additional information

The mean density of test item3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-Buten-2-one (CAS No. 127-51-5)was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) using glass pyknometer The mean density of the test item was found to be 0.9306 g/cm³at 20°C and 968.7 hPa.

Other supporting studies from authoritative handbooks and articles also suggests that the density of chemical3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one was 0.93 g/cm2 at 20 degree C.