Unii-A53122S09O

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  • Identifiers

    CAS number
    95370-65-3

    Molecular formula
    C25H47N5O6

    SMILES
    CCCCCCCCCCCC(=O)NC(=NCCC[C@@H](C(=O)OCC)N)N.C1CC(=O)N[C@@H]1C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 40.44%
    Savory 37.27%
    Cooling 36.6%
    Meaty 33.83%
    Mint 24.21%
    Fresh 24.09%
    Herbal 23.89%
    Fishy 23.72%
    Oily 21.81%
    Animal 21.72%

     

    Flavor
    Odorless 37.41%
    Bland 36.13%
    Mild 30.18%
    Bitter 24.46%
    Faint 21.96%
    Slightly waxy 20.23%
    Herbal 19.8%
    Bay oil 19.77%
    Cedarleaf 19.69%
    Sweet-like 19.59%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.77 (weak base)

    Molecular weight
    513.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    545°C

    Flash point

    • 210.99 ˚C est.

  • Synonyms

    • UNII-A53122S09O
    • 95370-65-3
    • BQFNJQPIVQOESG-BRFVKMHBSA-N
    • Ethyl (S,E)-2-Amino-5-[[amino(dodecanamido)methylene]amino]pentanoate compound with (S)-5-Oxopyrrolidine-2-carboxylic Acid
    • SY454401
    • 95370-65-3

  • Applications

    Typically used as an intermediate in organic synthesis and as a specialized solvent in various industrial processes. In polymer and plastics manufacturing, it may serve as a processing aid, stabilizer, or plasticizer to enhance formulation performance. In coatings and inks, it can function as a solvent or additive to adjust drying behavior and film properties. It also finds use in adhesive formulations as a processing aid or solvent, and in cleaning products as a solubilizer or carrier. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.66
    methanol 58.79
    isopropanol 6.18
    water 3.28
    ethyl acetate 5.23
    n-propanol 11.79
    acetone 19.24
    n-butanol 8.5
    acetonitrile 5.76
    DMF 57.33
    toluene 4.41
    isobutanol 7.49
    1,4-dioxane 14.42
    methyl acetate 6.81
    THF 39.24
    2-butanone 12.16
    n-pentanol 9.56
    sec-butanol 6.38
    n-hexane 0.23
    ethylene glycol 11.8
    NMP 133.83
    cyclohexane 0.48
    DMSO 223.86
    n-butyl acetate 4.46
    n-octanol 2.49
    chloroform 27.89
    n-propyl acetate 6.3
    acetic acid 100.43
    dichloromethane 31.43
    cyclohexanone 48.57
    propylene glycol 17.75
    isopropyl acetate 4.12
    DMAc 106.11
    2-ethoxyethanol 35.82
    isopentanol 6.87
    n-heptane 0.12
    ethyl formate 13.76
    1,2-dichloroethane 19.24
    n-hexanol 3.96
    2-methoxyethanol 53.82
    isobutyl acetate 4.38
    tetrachloromethane 5.37
    n-pentyl acetate 6.53
    transcutol 67.29
    n-heptanol 4.06
    ethylbenzene 2.28
    MIBK 6.33
    2-propoxyethanol 20.04
    tert-butanol 5.68
    MTBE 2.28
    2-butoxyethanol 19.35
    propionic acid 25.08
    o-xylene 3.73
    formic acid 106.8
    diethyl ether 1.42
    m-xylene 3.0
    p-xylene 3.74
    chlorobenzene 8.44
    dimethyl carbonate 7.35
    n-octane 0.1
    formamide 97.81
    cyclopentanone 57.28
    2-pentanone 8.76
    anisole 5.02
    cyclopentyl methyl ether 9.26
    gamma-butyrolactone 65.33
    1-methoxy-2-propanol 26.2
    pyridine 23.97
    3-pentanone 7.01
    furfural 80.72
    n-dodecane 0.08
    diethylene glycol 24.82
    diisopropyl ether 0.59
    tert-amyl alcohol 6.87
    acetylacetone 20.97
    n-hexadecane 0.09
    acetophenone 13.27
    methyl propionate 7.82
    isopentyl acetate 5.14
    trichloroethylene 47.8
    n-nonanol 2.71
    cyclohexanol 11.45
    benzyl alcohol 15.26
    2-ethylhexanol 2.39
    isooctanol 3.15
    dipropyl ether 1.44
    1,2-dichlorobenzene 9.5
    ethyl lactate 9.51
    propylene carbonate 33.82
    n-methylformamide 36.72
    2-pentanol 2.9
    n-pentane 0.15
    1-propoxy-2-propanol 10.62
    1-methoxy-2-propyl acetate 9.35
    2-(2-methoxypropoxy) propanol 16.38
    mesitylene 1.79
    ε-caprolactone 39.27
    p-cymene 1.41
    epichlorohydrin 50.06
    1,1,1-trichloroethane 12.05
    2-aminoethanol 24.62
    morpholine-4-carbaldehyde 67.4
    sulfolane 162.98
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 14.42
    n-hexyl acetate 6.48
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 21.52
    sec-butyl acetate 3.68
    tert-butyl acetate 5.9
    decalin 0.37
    glycerin 43.92
    diglyme 42.84
    acrylic acid 35.5
    isopropyl myristate 1.85
    n-butyric acid 29.43
    acetyl acetate 8.76
    di(2-ethylhexyl) phthalate 6.7
    ethyl propionate 4.68
    nitromethane 83.12
    1,2-diethoxyethane 5.96
    benzonitrile 10.9
    trioctyl phosphate 3.83
    1-bromopropane 4.1
    gamma-valerolactone 104.27
    n-decanol 1.77
    triethyl phosphate 4.82
    4-methyl-2-pentanol 2.17
    propionitrile 4.47
    vinylene carbonate 31.95
    1,1,2-trichlorotrifluoroethane 99.11
    DMS 7.86
    cumene 1.86
    2-octanol 1.99
    2-hexanone 8.81
    octyl acetate 3.15
    limonene 1.69
    1,2-dimethoxyethane 29.91
    ethyl orthosilicate 4.5
    tributyl phosphate 4.58
    diacetone alcohol 17.8
    N,N-dimethylaniline 5.37
    acrylonitrile 9.05
    aniline 12.17
    1,3-propanediol 28.29
    bromobenzene 6.73
    dibromomethane 14.74
    1,1,2,2-tetrachloroethane 40.1
    2-methyl-cyclohexyl acetate 6.68
    tetrabutyl urea 7.12
    diisobutyl methanol 1.13
    2-phenylethanol 8.62
    styrene 2.82
    dioctyl adipate 5.58
    dimethyl sulfate 29.47
    ethyl butyrate 4.19
    methyl lactate 17.4
    butyl lactate 11.54
    diethyl carbonate 3.5
    propanediol butyl ether 20.79
    triethyl orthoformate 4.5
    p-tert-butyltoluene 1.26
    methyl 4-tert-butylbenzoate 14.43
    morpholine 24.48
    tert-butylamine 1.86
    n-dodecanol 1.13
    dimethoxymethane 18.32
    ethylene carbonate 23.89
    cyrene 37.29
    2-ethoxyethyl acetate 12.25
    2-ethylhexyl acetate 3.86
    1,2,4-trichlorobenzene 13.9
    4-methylpyridine 17.23
    dibutyl ether 1.51
    2,6-dimethyl-4-heptanol 1.13
    DEF 16.12
    dimethyl isosorbide 29.94
    tetrachloroethylene 30.98
    eugenol 16.49
    triacetin 14.92
    span 80 14.09
    1,4-butanediol 16.02
    1,1-dichloroethane 9.29
    2-methyl-1-pentanol 8.62
    methyl formate 27.66
    2-methyl-1-butanol 7.68
    n-decane 0.14
    butyronitrile 5.19
    3,7-dimethyl-1-octanol 2.13
    1-chlorooctane 0.93
    1-chlorotetradecane 0.35
    n-nonane 0.12
    undecane 0.11
    tert-butylcyclohexane 0.25
    cyclooctane 0.18
    cyclopentanol 17.27
    tetrahydropyran 9.38
    tert-amyl methyl ether 2.72
    2,5,8-trioxanonane 28.98
    1-hexene 1.13
    2-isopropoxyethanol 17.7
    2,2,2-trifluoroethanol 48.57
    methyl butyrate 9.09

    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