Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
246-495-9
EC name:
Methyl 3-oxo-2-pentylcyclopentaneacetate
CAS number:
24851-98-7

No inventory information available

Reference substance information

IUPAC name:
methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
Synonyms
Names:
Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester
Identifier:
CAS number
24851-98-7
Identifier:
IUPAC name
methyl (3-oxo-2-pentylcyclopentyl)acetate
Identifier:
IUPAC name
methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
Identifier:
common name
Hedione
Identifier:
other: SMILES notation
CCCCCC1C(CC(=O)OC)CCC1=O
Identifier:
other: SMILES notation
CCCCCC1C(CCC1=O)CC(=O)OC
Identifier:
other: InChl
InChI=1/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
Identifier:
other: InChl
InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
Methyl 3-oxo-2-pentyl-1-cyclopentaneacetate

CAS information

CAS number:
24851-98-7

Molecular and structural information

Molecular formula:
C13H22O3
Molecular weight:
ca. 226.3
SMILES notation:
O=C(OC)CC(C(C(=O)C1)CCCCC)C1
InChl:
InChI=1/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/i1-12,2-12,3-12,4-12,5-12,6-12,7-12,8-12,9-12,10-12,11-12,12-12,13-12,14-16,15-16,16-16
Structural formula:
Chemical structure