CAS Registry Number®
1754-00-3
CAS Name
Isocitral
Molecular Formula
C10H16O
Molecular Mass
152.23
Compound Properties
-
Boiling Point (1)
95-97 °C
-
Density (1)
0.890 g/cm³ @ Temp: 15 °C
Source(s)
- (1) Schmidt, Harry; Ber. Schimmel & Co. Akt.-Ges., (1939), 114-16, CAplus
Other Names and Identifiers
InChI
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,8H,4,7H2,1-3H3
InChIKey
InChIKey=OJLMARCQPSGYNE-UHFFFAOYSA-N
SMILES
C(=CCC=C(C)C)(CC=O)C
Canonical SMILES
O=CCC(=CCC=C(C)C)C
Other Names for this Substance
- 3,6-Octadienal, 3,7-dimethyl-
- Isocitral
- 3,7-Dimethyl-3,6-octadienal