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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
data is from modelling database
Qualifier:
according to
Guideline:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of test substance Isolongifolene (CAS no. 1135-66-6)
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material: Isolongifolene
- IUPAC name: (2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene
- Molecular formula: C15H24
- Molecular weight: 204.3546 g/mole
- Smiles :CC1(C)CCC=C2C(C)(C)[C@H]3CC[C@@]12C3
- Inchl: 1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1
- Substance type: Organic
- Physical state: Liquid (colorless)
Key result
Water solubility:
0.06 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: estimated value
Conclusions:
The estimated water solubility of test substance Isolongifolene (CAS no. 1135-66-6) at 25 deg C was 0.059998 mg/l.
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of the test substance Isolongifolene (CAS no. 1135-66-6).

The estimated water solubility of the test substance Isolongifolene (CAS no. 1135-66-6) at 25 deg C was 0.059998 mg/l.

Based on the estimated value, the test substance Isolongifolene (CAS no. 1135-66-6) was considered to be insoluble in water.

Description of key information

The estimated water solubility of test substance Isolongifolene (CAS no. 1135-66-6) at 25 deg C was 0.059998  mg/l.

Key value for chemical safety assessment

Water solubility:
0.06 mg/L
at the temperature of:
25 °C

Additional information

WSKOW v1.42 was used to estimate the water solubility of the test substance Isolongifolene (CAS no. 1135-66-6).

The estimated water solubility of the test substance Isolongifolene (CAS no. 1135-66-6) at 25 deg C was 0.059998 mg/l.

Based on the estimated value, the test substance Isolongifolene (CAS no. 1135-66-6) was considered to be insoluble in water.