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EC number: 295-405-4
CAS number: 92045-23-3
A complex combination of hydrocarbons produced by the distillation of the products of a steam cracking process. It consists predominantly of hydrocarbons having a carbon number of C4, predominantly 1-butene and 2-butene, containing also butane and isobutene and boiling in the range of approximately minus 12°C to 5°C (10.4°F to 41°F).
The water solubility of Propane, 2 -methyl-
is 53.5mg/L. The information is taken from a peer reviewed handbook
which is considered reliable for assessment. As Isobutane is a C4
hydrocarbon the substance is considered adequate for read across.
The solubility of Buta-1,3 -diene is 735
mg/L at 20˚C. The study predates the implementation of GLP and standard
guidelines. The method is described in detail and is considered
appropriate for determining the solubility of a gaseous substance. In
addition, this reference was used as the key study in the EU RAR for
Buta-1,3-diene (2002). The water
solubility was measured in a closed system with an equilibrium between
the water phase and the saturated vapour phase in the closed vessel. The
resulting, relatively high solubility of 735mg/L is unlikely to be
observed in the environment where such a solubility is not possible due
The gas chromatograph technique of measuring
concentration of dissolved hydrocarbons in water has a principle
advantage in that impurities do not interfere in the result, except in
instances where the impurity has the same relative retention time on the
column as the hydrocarbon being measured.
The water solubility of But-1-ene is 222 ±
10 mg/L at 25˚C. The study predates the implementation of GLP and
standard guidelines. However, the method is described in detail and is
considered appropriate for determining the solubility of a gaseous
The water solubility of Pro-1 -ene, 2
-methyl- is 263 mg/L at 25˚C. The study predates the implementation of
GLP and standard guidelines. However, the method is described in detail
and is considered appropriate for determining the solubility of a
The data from the ICSC gives the water solubility of 1,3-Butadiene as
No information on the test methods used is available in the ICSC.
However, this information is taken from a peer reviewed source and so
can be considered reliable and suitable for use as the supporting study
for this endpoint.
QSAR model predicts a water solubility of 792.3 mg/L at 25 °C for
Buta-1,3 -diene. This model and value is considered adequate to use for
The water solubility data were not available for any of the streams
within this Category. However, data were read across from the main
hydrocarbon C4 constituents in this Category. The representative
constituents of the category studied and used as supporting read-across
are But-1-en-3-yne (CAS 689-97-4), But-1-ene (CAS 106-98-9), But-2-ene,
cis- (CAS 590-18-1), But-2-ene, trans- (CAS 624-64-6), Buta-1,2-diene
(CAS 590-19-2), Buta-1,3-diene (CAS 106-99-0), Butane (CAS 106-97-8),
Prop-1-ene, 2-methyl- (CAS 115-11-7), and Propane, 2-methyl- (CAS
The water solubility data presented in the dossier is compilation of
QSAR data and data from peer review handbooks. The WATERNT v1.01 model
of Epi Suite has been used as key QSAR. No information on the test
methods used is available in the handbooks; however, as the information
is taken from peer reviewed handbooks and it can be considered reliable
and suitable for use as the key study for this endpoint.
The water solubility of the representative constituents of this Category
at 25- 30°C range from 53.5 to 2,837.9 mg/L.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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