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Reference substances

Reference substances

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General information

Inventory

EC number:
204-626-7
EC name:
4-hydroxy-4-methylpentan-2-one
CAS number:
123-42-2

No inventory information available

Reference substance information

IUPAC name:
4-hydroxy-4-methylpentan-2-one
Synonyms
Names:
2-Pentanone, 4-hydroxy-4-methyl-
diacetone alcohol
Identifier:
CAS number
123-42-2
Identifier:
IUPAC name
Di-acetone alcohol
Identifier:
ChemSpider ID
13838151
Identifier:
common name
Diacetone alcohol
Identifier:
other: InChl
1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
Identifier:
other: SMILES notation
C(CC(C)=O)(C)(C)O
Identifier:
other: SMILES notation
CC(C)CC(=O)C
Identifier:
other: abbreviation
DAA
Identifier:
other: InChl
InChI=1/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
4-hydroxy-4-methylpentan-2-one

CAS information

CAS number:
123-42-2

Molecular and structural information

Molecular formula:
C6H12O2
Molecular weight:
ca. 116.158
SMILES notation:
CC(=O)CC(C)(C)O
InChl:
InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
Structural formula:
Chemical structure