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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: scientifically accepted software

Data source

Reference
Reference Type:
other: QSAR
Title:
unpublished calculation
Author:
BASF SE, D-67056 Ludwigshafen
Year:
2010
Bibliographic source:
SPARC, Automated Reasoning in Chemistry, online query 15 Nov 2010

Materials and methods

Principles of method if other than guideline:
other: calculated
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2,4,6-trimethylbenzoyl chloride
EC Number:
213-339-6
EC Name:
2,4,6-trimethylbenzoyl chloride
Cas Number:
938-18-1
Molecular formula:
C10H11ClO
IUPAC Name:
2,4,6-trimethylbenzoyl chloride

Results and discussion

Water solubility
Water solubility:
49.62 mg/L
Temp.:
25 °C

Any other information on results incl. tables

Value from authoritative literature / data base; no data on pH.

Applicant's summary and conclusion