Table C.1.

QSAR predictions on mutagenicity in five models for 10 ketones from subgroup 2.4

FL‐no JECFA‐no	EU Register name	Structural formulaa	ISS Local Model Ames Test TA100b	MultiCASE Ames testc	MultiCASE Mouse lymphoma testd	MultiCASE Chromosomal aberration test in CHOe	MultiCASE Chromosomal aberration test in CHLf
07.007 388	α‐Ionone		NEG	NEG	NEG	NEG	EQU
07.009 398	Methyl‐ α‐ionone		NEG	NEG	OD	NEG	EQU
07.011 403	4‐(2,5,6,6‐Tetramethyl‐2‐cyclohexenyl)‐3‐buten‐2‐one		NEG	NEG	OD	NEG	EQU
07.036 404	α‐Isomethyl ionone		NEG	NEG	NEG	NEG	NEG
07.061 401	Allyl α‐ionone		NEG	NEG	NEG	NEG	EQU
07.088 400	Methyl‐ δ‐ionone		NEG	NEG	OD	OD	EQU
07.091 390	γ‐Ionone		NEG	NEG	NEG	NEG	EQU
07.130 386	δ‐Damascone		NEG	NEG	NEG	NEG	EQU
07.134 385	α‐Damascone		NEG	NEG	OD	NEG	OD
07.231	α‐Damascenone		NEG	NEG	OD	OD	OD
07.170	β‐Ionone epoxide		NYA	NEG	OD	OD	OD
07.226 2188	tr‐1‐(2,6,6‐Trimethyl‐2‐cyclohexen‐1‐yl)but‐2‐en‐1‐one		NYA	NEG	NEG	NEG	OD

OD: out of applicability domain: not matching the range of conditions where a reliable prediction can be obtained in this model. These conditions may be physicochemical, structural, biological, etc; EQU: equivocal; NEG: negative; NYA: not yet assessed; POS: positive.

^aStructure group 2.4: α,β‐unsaturated ketones.

^bLocal model on aldehydes and ketones, Ames TA100.

^cMultiCase Ames test.

^dMultiCase Mouse Lymphoma test.

^eMultiCase Chromosomal aberration in CHO.

^fMultiCase Chromosomal aberration in CHL.