Icr 368

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  • Identifiers

    CAS number
    39013-93-9

    Molecular formula
    C23H27Cl3N4

    SMILES
    CCN(CCCNC1=C2C=CC3=C(C2=NC4=CC=CC=C41)N=CC=C3)CCCl.Cl.Cl

  • Odor profile

    Fragrance
    Fishy 55.8%
    Cheesy 42.75%
    Odorless 38.92%
    Animal 36.82%
    Ripe 36.0%
    Meaty 33.93%
    Savory 31.03%
    Cooked 24.9%
    Burnt 24.65%
    Roasted 21.99%

     

    Flavor
    Bitter 66.37%
    Odorless 30.03%
    Bland 26.85%
    Mild 20.65%
    Cedarleaf 19.77%
    Nitrile 19.65%
    Sweet-like 19.48%
    Very strong 19.32%
    Indole 19.15%
    Scallion 18.82%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.25 (neutral)

    Molecular weight
    465.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    817°C

    Flash point

    • 290.97 ˚C est.

  • Synonyms

    • ICR 368
    • CCRIS 7025
    • NSC 133481
    • 39013-93-9
    • 1,3-Propanediamine, N'-benzo(b)(1,10)phenanthrolin-7-yl-N-(2-chloroethyl)-N-ethyl-, dihydrochloride
    • 7-((3-((2-Chloroethyl)ethylamino)propyl)amino)benzo(b)(1,10)phenanthroline dihydrochloride
    • Benzo(b)(1,10)phenanthroline, 7-((3-((2-chloroethyl)ethylamino)propyl)amino)-, 2HCl
    • 1,3-Propanediamine, N'-benzo(b)(1,10)phenanthrolin-7-yl-N-(2-chloroethyl)-N-ethyl-,dihydrochloride
    • 1,3-Propanediamine, N'-benzo(b)(1,10)phenanthrolin-7-yl-N-(2-chloroethyl)-N-ethyl-,dihydrochloride (9CI)

  • Applications

    Icr 368, CAS 39013-93-9, is commonly used as a fragrance ingredient/odorant and as an intermediate in the synthesis of aroma compounds, supporting perfumery and cosmetics/personal care formulations to contribute aroma notes. It may also function as a solvent or processing aid in certain industrial formulations and manufacturing steps, and can appear in cleaning products as a scent additive. In coatings and inks, it can serve as a fragrance component to impart odor characteristics to finished products, subject to formulation compatibility and local regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.53
    methanol 21.63
    isopropanol 8.91
    water 1.61
    ethyl acetate 23.29
    n-propanol 20.67
    acetone 26.68
    n-butanol 19.56
    acetonitrile 7.56
    DMF 46.3
    toluene 12.65
    isobutanol 15.94
    1,4-dioxane 22.92
    methyl acetate 22.82
    THF 43.18
    2-butanone 32.58
    n-pentanol 21.97
    sec-butanol 12.2
    n-hexane 0.95
    ethylene glycol 14.45
    NMP 70.01
    cyclohexane 1.51
    DMSO 56.05
    n-butyl acetate 21.79
    n-octanol 5.64
    chloroform 115.44
    n-propyl acetate 24.1
    acetic acid 65.28
    dichloromethane 131.65
    cyclohexanone 59.07
    propylene glycol 9.4
    isopropyl acetate 14.02
    DMAc 91.86
    2-ethoxyethanol 50.44
    isopentanol 17.47
    n-heptane 1.29
    ethyl formate 30.27
    1,2-dichloroethane 70.59
    n-hexanol 15.91
    2-methoxyethanol 51.07
    isobutyl acetate 17.94
    tetrachloromethane 18.97
    n-pentyl acetate 24.32
    transcutol 76.0
    n-heptanol 12.21
    ethylbenzene 5.37
    MIBK 15.63
    2-propoxyethanol 44.34
    tert-butanol 7.3
    MTBE 5.19
    2-butoxyethanol 34.36
    propionic acid 36.05
    o-xylene 8.54
    formic acid 50.9
    diethyl ether 9.71
    m-xylene 9.74
    p-xylene 8.67
    chlorobenzene 27.23
    dimethyl carbonate 22.08
    n-octane 0.79
    formamide 54.41
    cyclopentanone 59.66
    2-pentanone 25.0
    anisole 9.2
    cyclopentyl methyl ether 21.52
    gamma-butyrolactone 75.37
    1-methoxy-2-propanol 27.23
    pyridine 42.26
    3-pentanone 24.72
    furfural 92.55
    n-dodecane 0.6
    diethylene glycol 44.22
    diisopropyl ether 3.26
    tert-amyl alcohol 10.31
    acetylacetone 33.16
    n-hexadecane 0.66
    acetophenone 22.21
    methyl propionate 27.45
    isopentyl acetate 20.37
    trichloroethylene 153.22
    n-nonanol 6.45
    cyclohexanol 20.68
    benzyl alcohol 27.42
    2-ethylhexanol 10.91
    isooctanol 10.94
    dipropyl ether 8.51
    1,2-dichlorobenzene 27.31
    ethyl lactate 20.29
    propylene carbonate 47.57
    n-methylformamide 37.08
    2-pentanol 10.38
    n-pentane 1.11
    1-propoxy-2-propanol 24.23
    1-methoxy-2-propyl acetate 28.0
    2-(2-methoxypropoxy) propanol 22.47
    mesitylene 5.21
    ε-caprolactone 54.51
    p-cymene 6.75
    epichlorohydrin 98.51
    1,1,1-trichloroethane 37.52
    2-aminoethanol 20.56
    morpholine-4-carbaldehyde 68.42
    sulfolane 90.36
    2,2,4-trimethylpentane 0.93
    2-methyltetrahydrofuran 23.43
    n-hexyl acetate 15.42
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 32.95
    sec-butyl acetate 14.29
    tert-butyl acetate 12.35
    decalin 1.17
    glycerin 23.58
    diglyme 58.59
    acrylic acid 42.99
    isopropyl myristate 6.39
    n-butyric acid 43.69
    acetyl acetate 20.27
    di(2-ethylhexyl) phthalate 14.85
    ethyl propionate 17.51
    nitromethane 61.14
    1,2-diethoxyethane 20.22
    benzonitrile 23.59
    trioctyl phosphate 9.97
    1-bromopropane 22.49
    gamma-valerolactone 91.17
    n-decanol 5.17
    triethyl phosphate 14.58
    4-methyl-2-pentanol 7.53
    propionitrile 12.25
    vinylene carbonate 57.34
    1,1,2-trichlorotrifluoroethane 114.93
    DMS 23.0
    cumene 5.15
    2-octanol 6.67
    2-hexanone 23.12
    octyl acetate 9.71
    limonene 7.91
    1,2-dimethoxyethane 38.43
    ethyl orthosilicate 13.92
    tributyl phosphate 11.79
    diacetone alcohol 22.04
    N,N-dimethylaniline 9.5
    acrylonitrile 18.95
    aniline 26.3
    1,3-propanediol 28.72
    bromobenzene 24.09
    dibromomethane 67.85
    1,1,2,2-tetrachloroethane 100.71
    2-methyl-cyclohexyl acetate 18.91
    tetrabutyl urea 14.12
    diisobutyl methanol 5.56
    2-phenylethanol 25.81
    styrene 6.34
    dioctyl adipate 13.2
    dimethyl sulfate 38.88
    ethyl butyrate 17.09
    methyl lactate 25.3
    butyl lactate 24.41
    diethyl carbonate 14.56
    propanediol butyl ether 21.14
    triethyl orthoformate 15.72
    p-tert-butyltoluene 5.41
    methyl 4-tert-butylbenzoate 23.37
    morpholine 34.18
    tert-butylamine 4.08
    n-dodecanol 4.21
    dimethoxymethane 34.5
    ethylene carbonate 47.77
    cyrene 37.63
    2-ethoxyethyl acetate 38.32
    2-ethylhexyl acetate 17.79
    1,2,4-trichlorobenzene 37.76
    4-methylpyridine 32.21
    dibutyl ether 5.59
    2,6-dimethyl-4-heptanol 5.56
    DEF 36.24
    dimethyl isosorbide 40.81
    tetrachloroethylene 91.29
    eugenol 30.77
    triacetin 22.97
    span 80 20.45
    1,4-butanediol 19.12
    1,1-dichloroethane 37.03
    2-methyl-1-pentanol 22.16
    methyl formate 35.29
    2-methyl-1-butanol 19.79
    n-decane 0.85
    butyronitrile 13.01
    3,7-dimethyl-1-octanol 6.14
    1-chlorooctane 3.78
    1-chlorotetradecane 1.98
    n-nonane 0.73
    undecane 0.69
    tert-butylcyclohexane 0.97
    cyclooctane 0.72
    cyclopentanol 21.21
    tetrahydropyran 19.95
    tert-amyl methyl ether 7.38
    2,5,8-trioxanonane 39.69
    1-hexene 4.21
    2-isopropoxyethanol 31.65
    2,2,2-trifluoroethanol 48.59
    methyl butyrate 24.25

    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