Canavalmine

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  • Identifiers

    CAS number
    70862-15-6

    Molecular formula
    C11H28N4

    SMILES
    C(CCNCCCNCCCCN)CN

    Safety labels

  • Odor profile

    Fragrance
    Fishy 87.03%
    Cheesy 49.49%
    Ripe 45.63%
    Odorless 34.69%
    Animal 34.36%
    Meaty 23.63%
    Savory 20.5%
    Pungent 15.41%
    Oily 14.2%
    Cooling 13.67%

     

    Flavor
    Odorless 27.78%
    Ammoniacal 26.05%
    Fishy 23.48%
    Bland 21.79%
    Glue 19.31%
    Skunky 19.16%
    Sulfurous 18.98%
    Mild 18.9%
    Bloody 18.88%
    Faint 18.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    5.89 (weak acid)

    Molecular weight
    216.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point

    • 162.5 ˚C est.

  • Synonyms

    • Canavalmine
    • 1,13-Diamino-5,9-diazatridecane
    • 70862-15-6
    • DTXSID60221097
    • N'-[3-(4-aminobutylamino)propyl]butane-1,4-diamine
    • 1,4-Butanediamine, N,N''-1,3-propanediylbis-
    • (4-aminobutyl)({3-[(4-aminobutyl)amino]propyl})amine
    • N'-(3-(4-aminobutylamino)propyl)butane-1,4-diamine
    • (4-aminobutyl)((3-((4-aminobutyl)amino)propyl))amine
    • RefChem:123175
    • DTXCID60143588
    • SCHEMBL3054702
    • CHEBI:191821
    • N,N''-1,3-Propanediylbis-1,4-Butanediamine
    • N,N''-1,3-Propanediylbis[1,4-butanediamine]
    • N1,N1'-(Propane-1,3-diyl)bis(butane-1,4-diamine)
    • N~1~,N~1'~-(Propane-1,3-diyl)di(butane-1,4-diamine)
    • 70862-15-6

  • Applications

    Canavalmine (CAS 70862-15-6) is described as an intermediate in organic synthesis and is commonly evaluated for industrial applications such as a specialty solvent or processing aid in manufacturing; it may also be used as a functional additive in polymer and plastics formulations; in coatings and inks it can serve as a processing component or reactive intermediate; in research and development settings it is explored as a reference material or building block for new materials and chemical processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 169.47
    methanol 601.56
    isopropanol 54.84
    water 92.99
    ethyl acetate 39.17
    n-propanol 140.56
    acetone 47.55
    n-butanol 113.59
    acetonitrile 28.23
    DMF 260.6
    toluene 10.93
    isobutanol 74.52
    1,4-dioxane 81.62
    methyl acetate 32.82
    THF 234.56
    2-butanone 33.74
    n-pentanol 58.06
    sec-butanol 43.93
    n-hexane 2.96
    ethylene glycol 205.62
    NMP 383.56
    cyclohexane 9.92
    DMSO 691.81
    n-butyl acetate 42.55
    n-octanol 16.18
    chloroform 114.25
    n-propyl acetate 34.74
    acetic acid 767.57
    dichloromethane 87.34
    cyclohexanone 150.68
    propylene glycol 168.15
    isopropyl acetate 23.15
    DMAc 180.54
    2-ethoxyethanol 195.52
    isopentanol 56.22
    n-heptane 6.62
    ethyl formate 110.68
    1,2-dichloroethane 53.89
    n-hexanol 55.03
    2-methoxyethanol 433.47
    isobutyl acetate 21.98
    tetrachloromethane 41.08
    n-pentyl acetate 23.98
    transcutol 164.14
    n-heptanol 35.02
    ethylbenzene 3.97
    MIBK 16.5
    2-propoxyethanol 174.29
    tert-butanol 44.55
    MTBE 13.14
    2-butoxyethanol 117.91
    propionic acid 247.92
    o-xylene 8.85
    formic acid 849.0
    diethyl ether 16.41
    m-xylene 7.54
    p-xylene 5.97
    chlorobenzene 27.34
    dimethyl carbonate 31.16
    n-octane 2.15
    formamide 638.55
    cyclopentanone 252.46
    2-pentanone 34.87
    anisole 12.71
    cyclopentyl methyl ether 82.2
    gamma-butyrolactone 407.77
    1-methoxy-2-propanol 184.73
    pyridine 89.87
    3-pentanone 27.33
    furfural 380.77
    n-dodecane 1.02
    diethylene glycol 199.61
    diisopropyl ether 4.58
    tert-amyl alcohol 40.77
    acetylacetone 50.17
    n-hexadecane 1.1
    acetophenone 26.88
    methyl propionate 52.04
    isopentyl acetate 28.85
    trichloroethylene 121.15
    n-nonanol 15.75
    cyclohexanol 95.1
    benzyl alcohol 43.16
    2-ethylhexanol 26.22
    isooctanol 22.92
    dipropyl ether 27.24
    1,2-dichlorobenzene 30.62
    ethyl lactate 59.96
    propylene carbonate 189.93
    n-methylformamide 365.44
    2-pentanol 32.24
    n-pentane 3.66
    1-propoxy-2-propanol 102.74
    1-methoxy-2-propyl acetate 53.38
    2-(2-methoxypropoxy) propanol 40.74
    mesitylene 5.49
    ε-caprolactone 153.28
    p-cymene 7.61
    epichlorohydrin 186.65
    1,1,1-trichloroethane 37.56
    2-aminoethanol 294.88
    morpholine-4-carbaldehyde 269.76
    sulfolane 615.62
    2,2,4-trimethylpentane 2.37
    2-methyltetrahydrofuran 91.46
    n-hexyl acetate 20.76
    isooctane 1.15
    2-(2-butoxyethoxy)ethanol 72.04
    sec-butyl acetate 16.99
    tert-butyl acetate 23.67
    decalin 2.89
    glycerin 365.35
    diglyme 152.53
    acrylic acid 286.82
    isopropyl myristate 6.69
    n-butyric acid 358.52
    acetyl acetate 42.29
    di(2-ethylhexyl) phthalate 18.84
    ethyl propionate 28.33
    nitromethane 430.0
    1,2-diethoxyethane 27.15
    benzonitrile 32.01
    trioctyl phosphate 15.69
    1-bromopropane 19.1
    gamma-valerolactone 359.19
    n-decanol 10.51
    triethyl phosphate 28.71
    4-methyl-2-pentanol 14.81
    propionitrile 34.89
    vinylene carbonate 157.17
    1,1,2-trichlorotrifluoroethane 449.37
    DMS 23.57
    cumene 4.29
    2-octanol 11.56
    2-hexanone 22.06
    octyl acetate 11.37
    limonene 12.19
    1,2-dimethoxyethane 119.88
    ethyl orthosilicate 28.92
    tributyl phosphate 20.18
    diacetone alcohol 58.61
    N,N-dimethylaniline 13.11
    acrylonitrile 62.16
    aniline 54.94
    1,3-propanediol 325.99
    bromobenzene 19.52
    dibromomethane 47.91
    1,1,2,2-tetrachloroethane 121.66
    2-methyl-cyclohexyl acetate 28.71
    tetrabutyl urea 22.35
    diisobutyl methanol 11.1
    2-phenylethanol 37.76
    styrene 5.99
    dioctyl adipate 16.32
    dimethyl sulfate 96.55
    ethyl butyrate 40.47
    methyl lactate 115.93
    butyl lactate 53.63
    diethyl carbonate 25.98
    propanediol butyl ether 74.33
    triethyl orthoformate 43.12
    p-tert-butyltoluene 7.86
    methyl 4-tert-butylbenzoate 34.43
    morpholine 162.33
    tert-butylamine 20.51
    n-dodecanol 7.51
    dimethoxymethane 93.52
    ethylene carbonate 134.8
    cyrene 97.85
    2-ethoxyethyl acetate 32.44
    2-ethylhexyl acetate 23.14
    1,2,4-trichlorobenzene 39.79
    4-methylpyridine 46.96
    dibutyl ether 11.56
    2,6-dimethyl-4-heptanol 11.1
    DEF 94.42
    dimethyl isosorbide 93.3
    tetrachloroethylene 134.42
    eugenol 45.53
    triacetin 38.27
    span 80 53.19
    1,4-butanediol 125.89
    1,1-dichloroethane 27.45
    2-methyl-1-pentanol 34.05
    methyl formate 208.16
    2-methyl-1-butanol 60.49
    n-decane 1.89
    butyronitrile 37.58
    3,7-dimethyl-1-octanol 12.79
    1-chlorooctane 6.73
    1-chlorotetradecane 2.53
    n-nonane 1.92
    undecane 1.3
    tert-butylcyclohexane 2.18
    cyclooctane 3.76
    cyclopentanol 164.44
    tetrahydropyran 73.27
    tert-amyl methyl ether 14.51
    2,5,8-trioxanonane 86.49
    1-hexene 6.61
    2-isopropoxyethanol 80.23
    2,2,2-trifluoroethanol 332.65
    methyl butyrate 49.96

    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