Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
hydrolysis
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
other: Supporting information only as this annex point is not relevant for a registration of an intermediate.

Data source

Reference
Reference Type:
publication
Title:
Unnamed
Year:
1937

Materials and methods

Test guideline
Qualifier:
no guideline followed
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Crotonaldehyde
EC Number:
224-030-0
EC Name:
Crotonaldehyde
Cas Number:
4170-30-3
Molecular formula:
C4H6O
IUPAC Name:
but-2-enal
Details on test material:
- Name of test material (as cited in study report): trans-crotonaldehyde
- Analytical purity: 99.1% by bromine absorption
- Isomers composition: trans-isomer was tested
Radiolabelling:
no

Study design

Analytical monitoring:
yes

Results and discussion

Transformation products:
not specified

Any other information on results incl. tables

Crotonaldehyde is reversibly hydrated to aldol in dilute aqueous solutions of acids. Hydration is first order with respect to acid and crotonaldehyde. Dehydration of aldol is first order with respect to acid and aldol. Energies of activation for hydration and dehydration are 18.23 and 24.4s kcal., respectively. Equilibrium is reached when 47% of the crotonaldehyde has been converted to aldol at 25°C and 39% at 35°C. Crotyl alcohol and trans-crotonic acid do not hydrate at an appreciable rate at 25°C in dilute aqueous nitric acid.

Applicant's summary and conclusion