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Reference substances

Reference substances

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General information

Inventory

EC number:
242-016-2
EC name:
3-(4-tert-butylphenyl)propionaldehyde
CAS number:
18127-01-0

No inventory information available

Reference substance information

IUPAC name:
3-(4-tert-butylphenyl)propanal
Synonyms
Names:
Benzenepropanal, 4-(1,1-dimethylethyl)-
Identifier:
CAS number
18127-01-0
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

CAS information

CAS number:
18127-01-0

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