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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
3-(4-tert-butylphenyl)propanal

Inventory

EC number:
242-016-2
EC name:
3-(4-tert-butylphenyl)propionaldehyde
CAS number:
18127-01-0
CAS number:
18127-01-0
Synonyms
Names:
Benzenepropanal, 4-(1,1-dimethylethyl)-
Identifier:
other:
Bourgeonal
Identifier:
other: SMILES notation
CC(C)(C)C1=CC=C(C=C1)CCC=O
Identifier:
other: SMILES notation
CC(C)(C)C1=CC=C(CCC=O)C=C1
Identifier:
other: InChl
InChI=1S/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3
3-(4-tert-butylphenyl)propanal

Molecular and structural information

Molecular formula:
C13H18O
Molecular weight:
190.281
SMILES notation:
CC(C)(C)c1ccc(CCC=O)cc1
InChl:
InChI=1/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3
Structural formula:
Chemical structure

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