Nisin

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  • Identifiers

    CAS number
    1414-45-5

    Molecular formula
    C143H230N42O37S7

    SMILES
    CCC(C)C1C(=O)NC(=C)C(=O)NC(C(=O)NC(CSCC(C(=O)N1)NC(=O)/C(=C/C)/NC(=O)C(C(C)CC)N)C(=O)NC2C(SCC(NC(=O)CNC(=O)C3CCCN3C2=O)C(=O)NC(CCCCN)C(=O)NC4C(SCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC4=O)C)CC(C)C)CCSC)C(=O)NC(CC(=O)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC5C(SCC6C(=O)NC(C(=O)NC(CSC(C(C(=O)N6)NC(=O)C(NC5=O)C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC7=CN=CN7)C(=O)NC(C(C)C)C(=O)NC(=C)C(=O)NC(CCCCN)C(=O)O)CC8=CN=CN8)C)C)C)CC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.39%
    Savory 35.68%
    Meaty 30.72%
    Roasted 26.38%
    Cooling 24.51%
    Popcorn 23.0%
    Cooked 22.64%
    Fishy 21.26%
    Nutty 20.19%
    Burnt 16.12%

     

    Flavor
    Bitter 83.12%
    Odorless 36.83%
    Bland 27.67%
    Sweet-like 20.52%
    Nitrile 19.57%
    Cedarleaf 19.33%
    Taco 18.4%
    Lovage 17.91%
    Roasted peanuts 17.74%
    Oriental 17.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -6.1

    pKa est.
    -732.97 (strong acid)

    Molecular weight
    3354.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    3739°C

    Flash point

    • -6706.65 ˚C est.

  • Synonyms

    • 1414-45-5
    • Ambicin N
    • Nisitrol
    • DTXSID20893678
    • Microgard MG 300
    • NSC 112903
    • NSC-112903
    • EN8XKG133D
    • CHEBI:71629
    • E234
    • DELVOPLUS
    • RefChem:854204
    • INS NO.234
    • INS-234
    • DTXCID301508886
    • E-234
    • 215-807-5
    • Nisin
    • Nisin A
    • NSC112903
    • Nisaplin
    • SCHEMBL8734539
    • s5036
    • AKOS015896705
    • CCG-270709
    • 1414-45-5

  • Applications

    Nisin (CAS 1414-45-5) is a bacteriocin peptide produced by Lactococcus lactis and used as a natural preservative in food processing. Real-world applications include preservation of dairy products (including cheese), processed meats, canned vegetables, sauces and beverages; use in antimicrobial packaging films or coatings to extend shelf life; evaluation for cosmetics/personal care as a preservative; and exploration as a feed additive in animal nutrition to improve safety of animal-derived foods. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.47
    methanol 51.09
    isopropanol 16.04
    water 3.37
    ethyl acetate 16.08
    n-propanol 16.87
    acetone 51.44
    n-butanol 10.99
    acetonitrile 14.02
    DMF 206.64
    toluene 3.69
    isobutanol 9.0
    1,4-dioxane 41.35
    methyl acetate 27.77
    THF 89.63
    2-butanone 39.46
    n-pentanol 9.4
    sec-butanol 11.25
    n-hexane 0.53
    ethylene glycol 30.83
    NMP 321.15
    cyclohexane 0.74
    DMSO 151.69
    n-butyl acetate 11.36
    n-octanol 5.63
    chloroform 13.08
    n-propyl acetate 12.81
    acetic acid 144.1
    dichloromethane 12.14
    cyclohexanone 52.92
    propylene glycol 42.18
    isopropyl acetate 9.72
    DMAc 256.14
    2-ethoxyethanol 56.44
    isopentanol 6.64
    n-heptane 0.56
    ethyl formate 26.53
    1,2-dichloroethane 9.82
    n-hexanol 6.09
    2-methoxyethanol 108.81
    isobutyl acetate 5.63
    tetrachloromethane 3.0
    n-pentyl acetate 13.84
    transcutol 84.97
    n-heptanol 6.94
    ethylbenzene 1.79
    MIBK 7.75
    2-propoxyethanol 44.44
    tert-butanol 9.81
    MTBE 5.3
    2-butoxyethanol 40.63
    propionic acid 39.71
    o-xylene 2.73
    formic acid 151.66
    diethyl ether 7.15
    m-xylene 1.96
    p-xylene 3.25
    chlorobenzene 4.43
    dimethyl carbonate 28.51
    n-octane 0.4
    formamide 134.85
    cyclopentanone 106.5
    2-pentanone 22.86
    anisole 5.9
    cyclopentyl methyl ether 16.54
    gamma-butyrolactone 121.49
    1-methoxy-2-propanol 66.22
    pyridine 35.89
    3-pentanone 18.53
    furfural 112.33
    n-dodecane 0.27
    diethylene glycol 65.14
    diisopropyl ether 1.45
    tert-amyl alcohol 8.43
    acetylacetone 40.39
    n-hexadecane 0.3
    acetophenone 12.98
    methyl propionate 25.35
    isopentyl acetate 7.69
    trichloroethylene 22.84
    n-nonanol 5.81
    cyclohexanol 9.58
    benzyl alcohol 12.01
    2-ethylhexanol 2.98
    isooctanol 4.11
    dipropyl ether 5.11
    1,2-dichlorobenzene 3.69
    ethyl lactate 18.81
    propylene carbonate 44.28
    n-methylformamide 90.49
    2-pentanol 6.14
    n-pentane 0.5
    1-propoxy-2-propanol 26.51
    1-methoxy-2-propyl acetate 19.97
    2-(2-methoxypropoxy) propanol 24.34
    mesitylene 1.05
    ε-caprolactone 56.08
    p-cymene 1.34
    epichlorohydrin 58.32
    1,1,1-trichloroethane 6.1
    2-aminoethanol 35.3
    morpholine-4-carbaldehyde 217.81
    sulfolane 198.25
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 29.33
    n-hexyl acetate 11.93
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 43.58
    sec-butyl acetate 6.73
    tert-butyl acetate 7.18
    decalin 0.3
    glycerin 103.46
    diglyme 67.71
    acrylic acid 61.88
    isopropyl myristate 3.41
    n-butyric acid 30.92
    acetyl acetate 14.59
    di(2-ethylhexyl) phthalate 6.29
    ethyl propionate 10.44
    nitromethane 149.31
    1,2-diethoxyethane 16.71
    benzonitrile 9.83
    trioctyl phosphate 4.83
    1-bromopropane 3.81
    gamma-valerolactone 220.3
    n-decanol 3.96
    triethyl phosphate 5.22
    4-methyl-2-pentanol 2.54
    propionitrile 9.36
    vinylene carbonate 41.6
    1,1,2-trichlorotrifluoroethane 102.96
    DMS 15.91
    cumene 1.13
    2-octanol 4.26
    2-hexanone 15.83
    octyl acetate 6.8
    limonene 2.01
    1,2-dimethoxyethane 57.1
    ethyl orthosilicate 4.58
    tributyl phosphate 5.08
    diacetone alcohol 23.75
    N,N-dimethylaniline 5.29
    acrylonitrile 17.83
    aniline 10.11
    1,3-propanediol 48.11
    bromobenzene 3.0
    dibromomethane 6.3
    1,1,2,2-tetrachloroethane 20.89
    2-methyl-cyclohexyl acetate 6.75
    tetrabutyl urea 11.47
    diisobutyl methanol 1.35
    2-phenylethanol 9.48
    styrene 2.08
    dioctyl adipate 6.79
    dimethyl sulfate 62.6
    ethyl butyrate 8.26
    methyl lactate 52.51
    butyl lactate 22.3
    diethyl carbonate 5.6
    propanediol butyl ether 49.55
    triethyl orthoformate 8.06
    p-tert-butyltoluene 1.22
    methyl 4-tert-butylbenzoate 14.01
    morpholine 62.4
    tert-butylamine 3.0
    n-dodecanol 2.68
    dimethoxymethane 60.28
    ethylene carbonate 30.38
    cyrene 48.78
    2-ethoxyethyl acetate 26.7
    2-ethylhexyl acetate 6.11
    1,2,4-trichlorobenzene 6.86
    4-methylpyridine 23.54
    dibutyl ether 4.61
    2,6-dimethyl-4-heptanol 1.35
    DEF 39.49
    dimethyl isosorbide 31.75
    tetrachloroethylene 15.25
    eugenol 17.46
    triacetin 22.04
    span 80 23.54
    1,4-butanediol 22.35
    1,1-dichloroethane 7.2
    2-methyl-1-pentanol 5.94
    methyl formate 74.56
    2-methyl-1-butanol 7.1
    n-decane 0.51
    butyronitrile 8.18
    3,7-dimethyl-1-octanol 2.78
    1-chlorooctane 1.7
    1-chlorotetradecane 0.71
    n-nonane 0.46
    undecane 0.36
    tert-butylcyclohexane 0.2
    cyclooctane 0.29
    cyclopentanol 22.0
    tetrahydropyran 19.59
    tert-amyl methyl ether 5.2
    2,5,8-trioxanonane 40.42
    1-hexene 1.72
    2-isopropoxyethanol 26.89
    2,2,2-trifluoroethanol 72.76
    methyl butyrate 16.16

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction