Identification of 24 Unknown Substances (NIAS/IAS) from Food Contact Polycarbonate by LC-Orbitrap Tribrid HRMS-DDMS³: Safety Assessment

Table 2

Risk assessment of the identified compounds.

Substance	Migration concentration (mg/kg food)	SML (mg/kg food)	EDI (mg/person/day)	Cramer class	TDICramer (mg/person/day)	TDI (mg/person/day)	HQ (EDI/TDI)
3,5-Ditert-butyl-4-hydroxybenzaldehyde (1620-98-0)^1	0.13		0.13	2	0.54		0.24
4-tert-Butylcyclohexyl acetate (32210-23-4)^1	0.13		0.13	2	0.54		0.24
Benazol P (2440-22-4)^2	0.07	30	0.07
Benzyl octyl adipate (3089-55-2)^1	0.04		0.04	1	1.8		0.02
Bis (2-ethylhexyl) adipate (103-23-1)^2	0.56	18	0.56
D,L-Camphor (76-22-2)^2	0.03	60	0.03
Citroflex A-4 (77-90-7)^2	0.03	60	0.03
Dibutyl hexanodioate (105-99-7)^2	0.01		0.01	1	1.8		0.006
Dibutyl phthalate (84-74-2)^2	0.21	0.3	0.21			0.6^a	0.35
Dibutyl sebacate (109-43-3)^2	0.09	60	0.09
Diethyl phthalate (84-66-2)^2	0.01		0.01			49.2^b	0.0002
Dodecyl sulfate (151-21-3)^1	0.20		0.2	3	0.09		2.22
Dipentyl phthalate (131-18-0)^1	0.05		0.05	1	1.8		0.03
Erucamide (112-84-5)^2	0.34	60	0.34
Galaxolidone (507442-49-1)^1	0.14		0.14	3	0.09		1.56
Hexadecanamide (629-54-9)^1	1.22	5	1.22
Irgafos 168 (31570-04-4)^2	0.99	60	0.99
Methyl dihydrojasmonate (24851-98-7)^2	0.02		0.02	2	0.54		0.04
N,N′-Dicyclohexylurea (2387-23-7)^1	0.02		0.02	3	0.09		0.22
DEET (134-62-3)^1	0.03		0.03	3	0.09		0.33
Octyl decyl phthalate (119-07-3)^1	2.44		2.44	1	1.8		1.36
Oleamide (301-02-0)^2	0.04	60	0.04
Palmitoyl ethanolamide (544-31-0)^1	0.03		0.03	3	0.09		0.33
Stearamide (124-26-5)^1	0.33	60	0.33

¹Migration (mg/kg) estimated semiquantitatively using the average response factor of a set of internal standards. ²Migration (mg/kg) calculated quantitatively using the calibration curve of the substance standard. Group restriction (sum of substances group restriction 12). Regulation 10/2011. Limit of 60 mg/kg for authorized substances (IAS) with no SML. Regulation 10/2011. Group restriction (sum of substances group restriction 32). Regulation 10/2011. ^aEFSA TDI 0.01 (mg/kg bw/day) [47]. Calculation of TDI in mg person⁻¹ day⁻¹ considering a person’ weight of 60 kg. ^bUS EPA TDI 0.8 (mg/kg bw/day) [48]. Calculation of TDI in mg person⁻¹ day⁻¹ considering a person’ weight of 60 kg.