Table C.1.

QSAR Predictions on Mutagenicity for 25 Aldehydes from Subgroup 1.1.1

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
05.176	Prop‐2‐enal		POS	POS	OD	NEG	OD
05.102 1364	Pent‐2‐enal		POS	POS	OD	NEG	NEG
05.114 1208	4‐Methylpent‐2‐enal		POS	NEG	OD	NEG	NEG
05.189 1353	2‐Hexenal		POS	POS	OD	NEG	NEG
05.073	Hex‐2(trans)‐enal		POS	POS	OD	NEG	NEG
Not in Register	Hex‐2(cis)‐en‐1‐al		POS	POS	OD	NEG	NEG
05.150 1360	Hept‐2(trans)‐enal		POS	POS	OD	NEG	NEG
05.070	2‐Heptenal		POS	POS	OD	NEG	NEG
05.060 1363	Oct‐2‐enal		POS	EQU	OD	NEG	NEG
05.190	trans‐2‐Octenal		POS	EQU	OD	NEG	NEG
05.171 1362	Non‐2‐enal		POS	EQU	OD	NEG	NEG
05.072	trans‐2‐Nonenal		POS	EQU	OD	NEG	NEG
Not in Register	Non‐2(cis)‐en‐1‐al		POS	EQU	OD	NEG	NEG
05.076 1349	Dec‐2‐enal		POS	EQU	OD	NEG	NEG
05.191	trans‐2‐Decenal		POS	EQU	OD	NEG	NEG
05.109 1366	2‐Undecenal		POS	EQU	OD	NEG	NEG
05.144	Dodec‐2(trans)‐enal		POS	EQU	OD	NEG	NEG
05.037 1350	2‐Dodecenal		POS	EQU	OD	NEG	NEG
05.078 1359	Tridec‐2‐enal		POS	EQU	OD	NEG	NEG
05.179	Tetradec‐2‐enal		POS	EQU	OD	NEG	NEG
05.111 1182	Octa‐2(trans),6(trans)‐dienal		NEG	EQU	OD	NEG	NEG
Not in register	Nona‐2,6‐dien‐1‐al		NEG	NEG	OD	NEG	NEG
05.058 1186	Nona‐2(trans),6(cis)‐dienal		NEG	NEG	OD	NEG	NEG
05.172 1187	Nona‐2(trans),6(trans)‐dienal		NEG	NEG	OD	NEG	NEG
05.120 1197	Dodeca‐2,6‐dienal		NEG	EQU	OD	NEG	NEG

FEMA: Flavor and Extract Manufacturers Association; CoE: Council of Europe; CAS: Chemical Abstract Service; CHL: Chinese hamster lung; CHO: Chinese hamster ovary.

^aStructure subgroup.

^bLocal model on aldehydes and ketones, Ames TA100. (NEG: Negative; POS: Positive; OD: out of domain).

^cMultiCase Ames test (OD: Out of domain; POS: Positive; NEG: Negative; EQU: Equivocal).

^dMultiCase Mouse lymphoma test (OD: Out of domain; POS: Positive; NEG: Negative; EQU: Equivocal).

^eMultiCase Chromosomal aberration in CHO (OD: Out of domain; POS: Positive; NEG: Negative; EQU: Equivocal).

^fMultiCase Chromosomal aberration in CHL (OD: Out of domain; POS: Positive; NEG: Negative; EQU: Equivocal).