beta-Isophorone

β-Isophorone is an organic compound with the formula (CH3)3C6H7O. Classified as a β,γ-unsaturated ketone, it is an isomer of and common impurity in the major industrial intermediate α-isophorone, which is produced from acetone. Like the alpha isomer, beta-isophorone is a colorless liquid.[1]

β-Isophorone
Names
Preferred IUPAC name
3,5,5-Trimethylcyclohex-3-en-1-one
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.006.760
EC Number
  • 207-434-1
UNII
  • InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3
    Key: LKOKKQDYMZUSCG-UHFFFAOYSA-N
  • CC1=CC(CC(=O)C1)(C)C
Properties
C9H14O
Molar mass 138.210 g·mol−1
Appearance Colorless liquid
Boiling point 189 °C (372 °F; 462 K)
Hazards
GHS labelling:
Danger
H302, H312, H319, H331, H335, H351
P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P312, P321, P322, P330, P337+P313, P363, P403+P233, P405, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

See also

References
  1. Hardo Siegel, Manfred Eggersdorfer (2005). "Ketones". Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. doi:10.1002/14356007.a15_077.{{cite encyclopedia}}: CS1 maint: uses authors parameter (link)
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