Table C.1.

(Q)SAR Predictions on Mutagenicity for Five Aldehydes from Subgroup 3.3 considered in FGE.216 (EFSA, 2009)

FL‐no JECFA‐no	Chemical name	Structural formula (a)	FEMA no CoE no CAS no	ISS Local Model Ames Test TA100 (b)	MultiCASE Ames test (c)	MultiCASE Mouse lymphoma test (d)	MultiCASE Chromosomal aberration test in CHO (e)	MultiCASE Chromosomal aberration test in CHL (f)
05.062 1474	2‐Phenylcrotonaldehyde		3224 670 4411‐89‐6	NEG	OD	OD	OD	OD
05.099 1472	5‐Methyl‐2‐phenylhex‐2‐enal		3199 10365 21834–92‐4	NEG	OD	OD	OD	OD
05.100 1473	4‐Methyl‐2‐phenylpent‐2‐enal		3200 10366 26643–91‐4	NEG	OD	OD	OD	OD
05.175	2‐Phenylpent‐2‐enal		– – 3491‐63‐2	NEG	OD	OD	OD	OD
05.222 2069	2‐Phenyl‐4‐methyl‐2‐hexenal		– – 26643–92‐5	NEG	OD	OD	OD	OD

(Q)SAR: (Quantitative) Structure–Activity Relationship; FL‐no: FLAVIS number; FLAVIS: Flavour Information System (database); JECFA: The Joint FAO/WHO Expert Committee on Food Additives; FEMA: Flavour and Extract Manufacturers Association; CoE: Council of Europe; CAS: Chemical Abstract Service; CHO: Chinese hamster ovary (cells); CHL: Chinese hamster lung (cells); NEG: Negative; 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 physico‐chemical, structural, biological, etc.)

^(a)Structure group 3.3: α, β‐unsaturated 2‐phenyl substituted aldehydes.

^(b)Local model on aldehydes and ketones, Ames TA100.

^(c)MultiCase Ames test.

^(d)MultiCase Mouse Lymphoma test.

^(e)MultiCase Chromosomal aberration in CHO.

^(f)MultiCase Chromosomal aberration in CHL.