CAS Registry Number®
5949-05-3
CAS Name
(S)-Citronellal
Molecular Formula
C10H18O
Molecular Mass
154.25
Compound Properties
-
Boiling Point (1)
65 °C @ Press: 2 Torr
-
Density (2)
1.0123 g/cm³ @ Temp: 25.00 °C
Source(s)
- (1) Stepanov, A. V.; Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya), (1998), 47(11), 2286-2291, CAplus
- (2) Kimura, Takayoshi; Chirality, (2006), 18(8), 581-586, CAplus
Other Names and Identifiers
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1
InChIKey
InChIKey=NEHNMFOYXAPHSD-JTQLQIEISA-N
SMILES
[C@H](CCC=C(C)C)(CC=O)C
Canonical SMILES
O=CCC(C)CCC=C(C)C
Other Names for this Substance
- 6-Octenal, 3,7-dimethyl-, (3S)-
- 6-Octenal, 3,7-dimethyl-, (-)-
- 6-Octenal, 3,7-dimethyl-, (S)-
- (3S)-3,7-Dimethyl-6-octenal
- (-)-Citronellal
- (S)-Citronellal
- L-Citronellal
- S-(-)-Citronellal
- (S)-(-)-3,7-Dimethyl-6-octenal
- l-Citronellal
- (-)-β-Citronellal
- (-)-(S)-Citronellal
- L-(-)-Citronellal
- (3S)-3,7-Dimethyloct-6-enal
- (S)-3,7-Dimethyloct-6-enal
- (3S)-3,7-Dimethyloct-6-enal
Deleted or Replaced CAS Registry Numbers
951036-04-7