Cymbopogon winterianus, ext., reaction products with acetone

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Principles of method if other than guideline:

Deviation: For the time between the last sampling (2016-11-07) and the compliance of the sponsor to end the study with the determination
of the pH via pH-meter (2016-11-10) the temperature was not additionally monitored manually. This deviation is considered to have no impact on quality and integrity of the study.

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Citronellol

EC Number:

203-375-0

EC Name:

Citronellol

Cas Number:

106-22-9

Molecular formula:

C10H20O

IUPAC Name:

3,7-dimethyloct-6-en-1-ol

Constituent 2

Reference substance name:

Geraniol

EC Number:

203-377-1

EC Name:

Geraniol

Cas Number:

106-24-1

Molecular formula:

C10H18O

IUPAC Name:

(E)-3,7-dimethylocta-2,6-dien-1-ol

Constituent 3

Reference substance name:

(E)-6,10-dimethylundeca-3,9-dien-2-one

Cas Number:

19870-49-6

Molecular formula:

C12H20O

IUPAC Name:

(E)-6,10-dimethylundeca-3,9-dien-2-one

Constituent 4

Reference substance name:

Dipentene

EC Number:

205-341-0

EC Name:

Dipentene

Cas Number:

138-86-3

Molecular formula:

C10H16

IUPAC Name:

1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene

Constituent 5

Reference substance name:

Linalool

EC Number:

201-134-4

EC Name:

Linalool

Cas Number:

78-70-6

Molecular formula:

C10H18O

IUPAC Name:

3,7-dimethylocta-1,6-dien-3-ol

Constituent 6

Reference substance name:

(±)-(1α,2β,5α)-5-methyl-2-(1-methylvinyl)cyclohexan-1-ol

EC Number:

256-557-7

EC Name:

(±)-(1α,2β,5α)-5-methyl-2-(1-methylvinyl)cyclohexan-1-ol

Cas Number:

50373-36-9

Molecular formula:

C10H18O

IUPAC Name:

rel-(1R,2S,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexanol

Constituent 7

Reference substance name:

(1α,2β,4β)-1-methyl-2,4-bis(methylvinyl)-1-vinylcyclohexane

EC Number:

251-713-0

EC Name:

(1α,2β,4β)-1-methyl-2,4-bis(methylvinyl)-1-vinylcyclohexane

Cas Number:

33880-83-0

Molecular formula:

C15H24

IUPAC Name:

rel-(1R,2R,4S)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexane

Constituent 8

Reference substance name:

(1E,6E)-8-isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene

Cas Number:

105453-16-5

Molecular formula:

C15H24

IUPAC Name:

(1E,6E)-8-isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene

Constituent 9

Reference substance name:

rel-(1R,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene

Cas Number:

31983-22-9

Molecular formula:

C15H24

IUPAC Name:

rel-(1R,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene

Constituent 10

Reference substance name:

rel-(1R,4aS,8aS)-1-isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8aoctahydronaphthalene

Cas Number:

39029-41-9

Molecular formula:

C15H24

IUPAC Name:

rel-(1R,4aS,8aS)-1-isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8aoctahydronaphthalene

Constituent 11

Reference substance name:

rel-(1R,8aS)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8ahexahydronaphthalene

Cas Number:

60305-17-1

Molecular formula:

C15H24

IUPAC Name:

rel-(1R,8aS)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8ahexahydronaphthalene

Constituent 12

Reference substance name:

rel-2-((1R,3S,4S)-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexyl)propan-2-ol

Cas Number:

23811-48-5

Molecular formula:

C15H26O

IUPAC Name:

rel-2-((1R,3S,4S)-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexyl)propan-2-ol

Constituent 13

Reference substance name:

5,9-dimethyl-2-(6-methylhept-5-en-2-yl)deca-2,8-dienal

Cas Number:

82451-80-7

Molecular formula:

C20H34O

IUPAC Name:

5,9-dimethyl-2-(6-methylhept-5-en-2-yl)deca-2,8-dienal

Constituent 14

Reference substance name:

Likely oxygenated constituent

IUPAC Name:

Likely oxygenated constituent

Constituent 15

Reference substance name:

Unknown Impurities

IUPAC Name:

Unknown Impurities

Test material form:

liquid

Specific details on test material used for the study:

Test Item: Baccartol Crude
Sponsor: 2376504
Batch Number: VE00364716
Content: not applicable - complex mixture
Appearance: yellow viscous liquid
Expiry date: 2017-04-02
Reccomended storage: Keep container tightly closed in a dry and well-ventilated place at ambient temperature (10-30 °C) protected from light.

Results and discussion

Water solubility

Water solubility 1

Water solubility:

94.1 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

100 mg/L

Temp.:

20 °C

pH:

5.9

Water solubility 2

Water solubility:

616 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

1 000 mg/L

Temp.:

20 °C

pH:

5.9

Applicant's summary and conclusion

Conclusions:

The test item content of BACCARTOL CRUDE, determined as the sum of the four main components in the saturated aqueous phases, was determined at 20 °C and pH 5.9 to be 94.1 ± 5.9 mg/L for an application dose of 100 mg/L, and 616 ± 11 mg/L for an application dose of 1000 mg/L, respectively.
At both application doses, the test item was not completely dissolved, undissolved material was observed at the end of the study.