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CAS Number: 96184-81-5
4-oxocyclohexanecarbaldehyde

Structure

4-oxocyclohexanecarbaldehyde
Name: 4-oxocyclohexanecarbaldehyde
Synonyms:
General Information
Product Number: 96184815
CAS Registry Number: 96184-81-5
Name:
        Cyclohexanecarboxald​ehyde, 4-​oxo-
        4-​Formylcyclohexanone 
 
Chemical Formula: C7H10O2
Exact Mass: 126.07
Molecular Weight: 126.15
m/z: 126.07 (100.0%), 127.07 (7.8%)
Elemental Analysis: C, 66.65; H, 7.99; O, 25.37
 
InChI: InChI=1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h5-6H,1-4H2
InChIKey: SFNKUFOBKQJUEB-UHFFFAOYSA-N
Canonical SMILES : C1CC(=O)CCC1C=O
 
Thermal Properties Value Condition Note
Boiling Point 113-113.5 °C Press: 10 Torr (1)CAS
Boiling Point 50-53 °C Press: 0.01 Torr (2)IC

Specification

98%

References
  1. (1) Petrov, A. A.; Zhurnal Obshchei Khimii 1941, V11, P661-4 CAPLUS
  2. (2) Makin, S. M.; Zhurnal Organicheskoi Khimii 1988, V24(11), P2309-15 CAPLUS
  3. (3) Avi, Manuela; Chemistry - A European Journal 2008, V14(36), P11415-11422 CAPLUS
  4. (4) Katritzky, Alan R.; Energy & Fuels 1990, V4(5), P531-8 CAPLUS
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