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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Water solubility

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
water solubility
Type of information:
(Q)SAR
Remarks:
Value report for information as found in the peer reviewed literature but there is no enough information on applicability domain, validity of the QSAR model etc...
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification
Remarks:
Value report for information as found in the peer reviewed literature but there is no enough information on applicability domain, validity of the QSAR model etc...
Justification for type of information:
Data from a peer reviewed literature, no information is available on the QSAR method (applicability domain, valide model etc...)
and
Value also found using Episuite 4.11 with the SMILES : c1c(c(cc(c1)C=CC(=O)O)OC)O
Guideline:
other: REACH guidance on QSAR R.6
Principles of method if other than guideline:
Data reported from a peer reviewed secondary literature (website database), this value was reported for the handbook Meylan et al 1996.
GLP compliance:
no
Type of method:
other: QSAR
Key result
Water solubility:
5 970 mg/L
Remarks on result:
other: peer Reviewed QSAR from handbook, no other information available
Conclusions:
An estimated value of the water solubity is 5970 mg/L
Executive summary:

According to the peer reviewed secondary literature, an estimated value of the water solubity is 5970 mg/L data from QSAR Meylan et al 1996.

Value also found via Episuite 4.11

Description of key information

According to the peer reviewed secondary literature an estimated value of the water solubity is 5970 mg/L data from QSAR Meylan et al 1996.

Key value for chemical safety assessment

Water solubility:
5 970 mg/L

Additional information

Slightly soluble is reported on the EFSA scientific opinion "Flavouring Group Evaluation 15, Revision 2 (FGE.15Rev2): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22"