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EC number: 204-846-3 | CAS number: 127-51-5
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 20-02-2018 – 26-02-2018
- 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:
- other: spectrophotometric analytical method
- Principles of method if other than guideline:
- The water solubility determination of test item 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (CAS No. 127-51-5) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101.
- GLP compliance:
- no
- Type of method:
- other: spectrophotometric analytical 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
- Water solubility:
- 27.953 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: No other detail available
- Conclusions:
- The water solubility determination of test item 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (CAS No. 127-51 -5) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of 3 -methyl-4 -(2,6,6 -trimethyl-2 -cyclohexen-1 -yl)-3 -buten-2 -one ( CAS No: 127 -51 -5 ) in water was found to be 27.9532 mg/L at 25°C.
Thus 3 -methyl-4 -(2,6,6 -trimethyl-2 -cyclohexen-1 -yl)-3 -buten-2 -one is considered to be slightly soluble in water. - Executive summary:
The water solubility determination of test item 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (CAS No. 127-51 -5) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of 3 -methyl-4 -(2,6,6 -trimethyl-2 -cyclohexen-1 -yl)-3 -buten-2 -one ( CAS No: 127 -51 -5 ) in water was found to be 27.9532 mg/L at 25°C.
Thus 3 -methyl-4 -(2,6,6 -trimethyl-2 -cyclohexen-1 -yl)-3 -buten-2 -one is considered to be slightly soluble in water.
Reference
Obseravtionn Table:
Sample stirring |
Concentration obtained on |
Dilution factor |
Solubility value obtained |
|
the basis of standard curve |
|
(mg/L) |
24 hour |
- |
- |
- |
48 hour |
4.5290 |
5 |
22.645 |
72 hour |
6.6523 |
5 |
33.2615 |
Description of key information
The water solubility determination of test item 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (CAS No. 127-51 -5) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of 3 -methyl-4 -(2,6,6 -trimethyl-2 -cyclohexen-1 -yl)-3 -buten-2 -one ( CAS No: 127 -51 -5 ) in water was found to be 27.9532 mg/L at 25°C.
Thus 3 -methyl-4 -(2,6,6 -trimethyl-2 -cyclohexen-1 -yl)-3 -buten-2 -one is considered to be slightly soluble in water.
Key value for chemical safety assessment
- Water solubility:
- 27.953 mg/L
- at the temperature of:
- 25 °C
Additional information
The water solubility determination of test item 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (CAS No. 127-51 -5) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of 3 -methyl-4 -(2,6,6 -trimethyl-2 -cyclohexen-1 -yl)-3 -buten-2 -one ( CAS No: 127 -51 -5 ) in water was found to be 27.9532 mg/L at 25°C.
Thus 3 -methyl-4 -(2,6,6 -trimethyl-2 -cyclohexen-1 -yl)-3 -buten-2 -one is considered to be slightly soluble in water.
As per database, the water solubility of test chemical 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one is deterimned to be in the range of 21-44 mg/L. Other supporting data from secondary source also indicates the solubility value as 16mg/L, which falls in the range of the selected key value.
This indicates that the substance is slightly soluble in water .
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