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EC number: 214-494-2 | CAS number: 1135-66-6
Water solubility
Administrative data
Link to relevant study record(s)
- 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
- 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.
Reference
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.
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