Valeranone
CAS Registry Number®
55528-90-0
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CAS Name
ValeranoneMolecular Formula
C15H26OMolecular Mass
222.37Cite this Page
Valeranone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=55528-90-0 (retrieved ) (CAS RN: 55528-90-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
155-156 °C @ Press: 11 TorrDensity (2)
0.9712 g/cm³ @ Temp: 20 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/s2
InChIKey
InChIKey=HDVXJTYHXDVWQO-URXHZYQANA-N
SMILES
C[C@@]12[C@@](C)(CC[C@H](C(C)C)C1)CCCC2=O
Canonical SMILES
O=C1CCCC2(C)CCC(CC12C)C(C)C
Other Names for this Substance
- 1(2H)-Naphthalenone, octahydro-4a,8a-dimethyl-7-(1-methylethyl)-, (4aR,7S,8aS)-rel-
- Valeranone
- 1(2H)-Naphthalenone, octahydro-4a,8a-dimethyl-7-(1-methylethyl)-, (4aα,7β,8aα)-
- 1(2H)-Naphthalenone, octahydro-7β-isopropyl-4aα,8aα-dimethyl-
- rel-(4aR,7S,8aS)-Octahydro-4a,8a-dimethyl-7-(1-methylethyl)-1(2H)-naphthalenone
Deleted or Replaced CAS Registry Numbers
50302-14-2
