SAFE FOOD PACKAGING PORTAL: ASSISTANT

A film of LDPE with a thickness of 100 µm is used for sandwiches with fatty substances on the surface. This kind of food is stored at 4° C for maximum 7 days.

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current version	1.0
author	olivier.vitrac@agroparistech.fr

I am not familar with packaging or compliance testing
- Lectures
  - Packaging overview
  - Diffusion
  - Regulation
    
    A film of LDPE
  - Risk assessment
- Webinars
- EU Regulation
  - Directives
  - Practical guide
  - From farm to fork
    - overview
    - food contact materials
- SAFE FOOD PACKAGING PORTAL
I want to proceed
- The additives are known
  - Irganox 1076
    - search molecules
      - CAS# 2082-79-3
      - 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionate (Irganox 1076)
      - C35 H62 O3
      - PMREF 68320
      - M=530.9 g/mol
        
        overestimated D
        
        4°C
        
        D_P=2.89e-015 m2.s-1
        
        10°C
        
        D_P=6.42e-015 m2.s-1
      - P219
        
        robust D
        
        D23°C
        
        med=3.75e-014 m2/s
        
        robust=2.83e-014 m2/s
        
        classification
        
        D23°C
        
        min= 1.38e-015 m2/s
        
        max=5.4e-013 m2/s
        
        Docosane (Alcane C22)
        Methyl Nonadecanoate
        Methyl Eicosanate
        Methyl Docosanate
        Methyl Tricosanate
        1,6-bis(2,2,6,6-tetramethyl-4-piperidinyl)hexamethylenediamine
        2,2,6,6 -tetramethyl-4-piperidinol (Dastib 845) (fatty acids)
        Methyl Octacosanate
        Dodecylester-3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionic acid
        2-Hydroxy-4-octadecane-oxy-benzophenone
        bis[2,2,6,6-Tetramethyl-4-piperidinyl)-sebacate (Tinuvin 770)
        bis[2.2.6.6-tetramethyl-4-piperidinyl-1-oxy]sebacate
        Didodecyl-3-3-thiodipropionate (DLTDP) (Irganox PS800) (Irgafos PS800)
        1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butyl-phenyl)butane (Topanol CA)
      - 3D structure
    - search SML
      - SML=6 mg/kg
      - CP0 recommended=3000 mg/kg
    - search EFSA/SCF opinion
      - TDI 0.1 mg/kg b.w.
        Several oral rat studies (3-weeks to 3- months), 2-year oral studies in mice and rats, two-generation and teratogenicity studies, mutagenicity tests.
        (RIVM doc. 31-03-92).
      - PMREF 68320
      - Inventory: Plastics: + - Concil of Europe: +
      - Source document
    - Simulation
      - calculation of C_F
        Attributes
        Name Value
        l_P 100 µm
        D_P 6.4e-15 m2.s-1
        L_FP 100
        K_FP 1
        t 7 days
        
        strong overestimate
        Attributes
        Name Value
        Bi 10000
        C_P0 5000
        
        C_F=34 mg/kg
        
        more realistic overestimate
        Attributes
        Name Value
        Bi 100
        C_P0 3000
        
        C_F=20 mg/kg
      - calculation of C_P0max
        Attributes
        Name Value
        SML 6 mg/kg
        l_P 100 µm
        L_FP 100
        t 7 days
        
        complete extraction
        Attributes
        Name Value
        scenario code A
        Fo +oo
        K_FP +oo
        Bi +oo
        
        C_P0max=600 mg/kg
        
        kinetic control
        +complete extraction
        Attributes
        Name Value
        scenario code B
        D_P +oo
        K_FP +oo
        Bi +oo
        
        C_P0max=872 mg/kg
        
        no kinetic control
        +partitioning
        Attributes
        Name Value
        scenario code C
        D_P +oo
        K_FP 1
        Bi +oo
        
        C_P0max=606 mg/kg
        
        kinetic control
        +partitioning
        Attributes
        Name Value
        scenario code D
        D_P 6.4e-15 m2.s-1
        K_FP 1
        Bi 100
        
        C_P0max=877 mg/kg
  - Irgafos 168
    - search molecules
      - CAS# 31570-04-4
      - Phosphorous acid, tris(2,4-di-tert-butylphenyl) ester (Irgafos 168)
      - C42 H63 O3 P1
      - PMREF 74240
      - M=640.9 g/mol
        
        overestimated D
        
        4°C
        
        D_P=1.23e-015 m2.s-1
        
        10°C
        
        D_P=2.73e-015 m2.s-1
      - R26
      - 3D structure
    - search EFSA/SCF opinion
      - TDI: 1 mg/kg b.w.
        90-day and 2-year oral rat studies
        2- generation study in rats and mutagenicity studies.
        (HRC report CBG 167/76339, 18 Aug. 1976
        LSR80/CIA 015/111, 21 Oct. 1980
        Ciba- Geigy 82 0873 Feb. 1985).
      - PMREF 68320
      - Inventory: Plastics: + - Concil of Europe: +
      - Source document
    - search SML
      - SML=60 mg/kg
    - Simulation
      - calculation of C_F
        Attributes
        Name Value
        l_P 100 µm
        D_P 2.7e-15 m2.s-1
        L_FP 100
        K_FP 1
        t 7 days
        
        strong overestimate
        Attributes
        Name Value
        Bi 10000
        C_P0 5000
        
        C_F=23 mg/kg
- The origin of the plastic is unknown
  - the highest D value (BHT)
    - overestimated D
      Attributes
      Name Value
      M 220.4 g/mol
      - 4°C
        
        D_P=5.8e-014 m2.s-1
      - 10°C
        
        D_P=1.3e-013 m2.s-1
  - search molecules/CP0/SML
    Attributes
    Name Value
    Polymer LDPE
    - found molecules
      - 2-Hydroxy-4-n-octylbenzophenone
        2-Hydroxy-4-octoxybenzophenone (Cyasorb UV 531)
        2.4.6-Tris(tert-butyl)phenyl 2-butyl-2-ethyl-1.3-propanediol phosphite
        2.2’-Ethylidenebis(4.6-di-tert-butyl-phenyl)fluorophosphonite
        Phosphorous acid. bis(2.4-di-tert-butyl-6-methylphenyl) ethyl ester
        Octadecyl 3-(3.5-di-tert-butyl-4-hydroxy-phenyl)propionate
        3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionate (Irganox 1076)
        1.1.3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl) butane
        1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butyl-phenyl)butane (Topanol CA)
        Reaction product of di-tert-butyl phosphonite with biphenyl. obtained by condensation of 2.4 di-tert-butylphenol with Friedel-Crafts reaction product of phosphorus trichloride and biphenyl
        Bis(2.4-di-tert-butylphenyl)penta-erythritol diphosphite
        Phosphorous acid. tris(2.4-di-tert-butylphenyl)ester
        Bis(2.4-dicumylphenyl)pentaerythritol diphosphite
        Pentaerythritol tetrakis[3-(3.5-di-tert-butyl-4-hydroxyphenyl)-propionate]
        Tetrakis[3-(3-5-di-tert-butyl-4-hydroxy-phenyl)propionyloxymethyl)-methane (Irganox 1010)
        Poly[6-[(1.1.3.3-tetramethylbutyl)-amino]-1.3.5-triazine-2.4-diyl]-[(2.2.6.6-tertamethyl-4-piperidyl)imino]-hexamethylene-[(2.2.6.6-tertamethyl-4-piperidyl)imino]
        Poly[[6-[N-(2.2.6.6-tertamethyl-4-piperidinyl)-n-butylamino]-1.3.5-triazine 2.4-diyl][(2.2.6.6-tertamethyl-4-piperidinyl)imino]-1.6-hexanediyl[(2.2.6.6-tertamethyl-4-piperidinyl)imino]]-alpha-[N.N.N’.N’-tetrabutyl-N’’’’-(2.2.6.6-tertamethyl-4-piperidinyl)imino]
    - range of M
      - min
        
        326.4 g/mol
        
        overestimated D
        
        4°C
        
        D_P=1.8e-014 m2.s-1
        
        10°C
        
        D_P=4e-014 m2.s-1
      - median
        
        544.8 g/mol
        
        overestimated D
        
        4°C
        
        D_P=2.6e-015 m2.s-1
        
        10°C
        
        D_P=5.7e-015 m2.s-1
      - max
        
        2600
        
        overestimated D
        
        4°C
        
        D_P=8e-020 m2.s-1
        
        10°C
        
        D_P=2e-019 m2.s-1
    - range of CP0 (recommended)
      - min
        
        300 mg/kg
      - median
        
        500 mg/kg
      - max
        
        5000 mg/kg
    - range of SML
      - min
        
        0.6 mg/kg
      - median
        
        6 mg/kg
      - max
        
        60 mg/kg
  - Simulation
    - deterministic
      - the worst case
        
        calculation of C_F
        Attributes
        Name Value
        l_P 100 µm
        D_P 1.3e-13 m2.s-1
        L_FP 100
        K_FP 1
        t 7 days
        
        strong overestimate
        Attributes
        Name Value
        Bi 10000
        C_P0 5000
        
        C_F=49.5 mg/kg
        
        more realistic
        Attributes
        Name Value
        Bi 100
        C_P0 5000
        
        C_F=49.5 mg/kg
      - intermediate
        
        calculation of C_F
        Attributes
        Name Value
        l_P 100 µm
        D_P 4e-14 m2.s-1
        L_FP 100
        K_FP 1
        t 7 days
        
        strong overestimate
        Attributes
        Name Value
        Bi 10000
        C_P0 5000
        
        C_F=49.4 mg/kg
        
        more realistic
        Attributes
        Name Value
        Bi 100
        C_P0 5000
        
        C_F=49.4 mg/kg
    - probabilistic
      - calculation of C_F
        Attributes
        Name Value
        l_P 100 µm
        D_P 5.7e-15 m2.s-1
        sD_P 0.5
        L_FP 100
        K_FP 1
        t 7 days
        st 0.2
        
        estimates
        Attributes
        Name Value
        Bi 10000
        C_P0 3000
        sC_P0 0.2
        
        5%
        
        C_F=12 mg/kg
        
        25%
        
        C_F=17 mg/kg
        
        50%
        
        C_F=22 mg/kg
        
        75%
        
        C_F=27 mg/kg
        
        95%
        
        C_F=38 mg/kg
Additional information
- European Databases
  - user
  - password
- Polymer properties
  - Tg=-110°C
  - Tm=115°C
  - Diffusive properties
    - Tree
    - Prunning optimization
- all polyolefines
  contain antixoidants
- max concentration
  of an antoxidant in P
  - 5000 mg/kg
- smallest antioxidant
  - search molecules
    Attributes
    Name Value
    molecule *BHT*
    - 2,6-Di-Tert-butyl-4-methylphenol (Ionol or BHT)
    - CAS# 128-37-0
    - C15 H24 O1
    - P158
    - M=220.4 g/mol
    - 3D structure
Approximations
- Temperature
  Attributes
  Name Value
  deltaT +6°C
  - 10°C
- Geometry 1D
  Attributes
  Name Value
  food geometry cylinder
  length 200 mm
  diameter 40 mm
  - V_F=251 ml
  - V_P=2.51ml
  - L_FP = dilution factor = V_F/V_P
    - L_FP=100

Attributes
Name	Value
l_P	100 µm
D_P	6.4e-15 m2.s-1
L_FP	100
K_FP	1
t	7 days

Attributes
Name	Value
Bi	10000
C_P0	5000

Attributes
Name	Value
SML	6 mg/kg
l_P	100 µm
L_FP	100
t	7 days

Attributes
Name	Value
scenario code	A
Fo	+oo
K_FP	+oo
Bi	+oo

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Assistant Example - Javascript version (the original version is available here)
This version is automatically converted from the original. It must be used only if you encounter any problem with flash/java content.