Registration Dossier
Registration Dossier
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EC number: 246-495-9 | CAS number: 24851-98-7
Reference substances
- IUPAC name:
- methyl 3-oxo-2-pentylcyclopentaneacetate
Inventory
- EC number:
- 246-495-9
- EC name:
- Methyl 3-oxo-2-pentylcyclopentaneacetate
- CAS number:
- 24851-98-7
- CAS number:
- 24851-98-7
Synonyms
- Names:
- Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester
- 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
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:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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