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Reference substances

Reference substances

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General information

Inventory

EC number:
204-634-0
EC name:
Pentane-2,4-dione
CAS number:
123-54-6

No inventory information available

Reference substance information

IUPAC name:
pentane-2,4-dione
Synonyms
Names:
2,4-Pentanedione
Acetyl Acetone
diacétylméthane
Identifier:
CAS number
123-54-6
Identifier:
IUPAC name
Acetyl Acetone
Identifier:
IUPAC name
Acetylacetone
Identifier:
IUPAC name
Pentane-2,4-dione
Identifier:
other: InChl
1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
Identifier:
other: InChl
1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 1/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
Identifier:
other: SMILES notation
C(CC(C)=O)(C)=O
Identifier:
other: SMILES notation
O=C(C)CC(=O)C CC(=O)CC(=O)C
pentane-2,4-dione

CAS information

CAS number:
123-54-6

Molecular and structural information

Molecular formula:
C5H8O2
Molecular weight:
100.116
SMILES notation:
CC(=O)CC(=O)C
InChl:
InChI=1/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
Structural formula:
Chemical structure