3,3'-(Dodecylimino)bis(1,2-propanediol)

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  • Identifiers

    CAS number
    817-01-6

    Molecular formula
    C18H39NO4

    SMILES
    CCCCCCCCCCCCN(CC(CO)O)CC(CO)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 41.43%
    Fishy 40.58%
    Waxy 36.62%
    Oily 34.01%
    Fresh 24.67%
    Fatty 23.09%
    Animal 23.06%
    Sweet 22.93%
    Alcoholic 21.7%
    Citrus 20.67%

     

    Flavor
    Odorless 42.86%
    Mild 36.57%
    Bland 34.91%
    Fatty 24.46%
    Waxy 23.75%
    Faint 22.76%
    Sweet-like 22.6%
    Slightly waxy 21.34%
    Bay oil 20.8%
    Delicate 20.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.24 (neutral)

    Molecular weight
    333.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    498°C

    Flash point

    • 223.25 ˚C est.

  • Synonyms

    • 3,3'-(Dodecylimino)bispropane-1,2-diol
    • 817-01-6
    • 608730Q9OB
    • RefChem:1065532
    • 3,3'-(Dodecylimino)bis(1,2-propanediol)
    • 212-441-8
    • 3-[2,3-dihydroxypropyl(dodecyl)amino]propane-1,2-diol
    • 3,3'-(dodecylimino)dipropane-1,2-diol
    • EINECS 212-441-8
    • UNII-608730Q9OB
    • SCHEMBL11416016
    • MVKAHJLPJBMCFN-UHFFFAOYSA-N
    • DTXSID201002130
    • 1,2-Propanediol, 3,3'-(dodecylimino)bis-
    • NS00041914
    • 3,3'-(Dodecylazanediyl)bis(propane-1,2-diol)
    • 3,3'-(Dodecylazanediyl)di(propane-1,2-diol)
    • N,N-BIS(2,3-DIHYDROXYPROPYL)LAURYLAMINE
    • 1,2-PROPANEDIOL, 3,3'-(DODECYLIMINO)DI-
    • N,N-BIS(2,3-DIHYDROXYPROPYL)-N-DODECYLAMINE
    • Q27263188
    • 817-01-6

  • Applications

    3,3'-(Dodecylimino)bis(1,2-propanediol) (CAS 817-01-6) is primarily used as a reactive polyol component in polyurethane formulations, where its two hydroxyl groups enable cross-linking and help tailor the flexibility and hardness of coatings, foams, and plastics; it can also function as a plasticizer or polymer modifier to adjust mechanical properties; the hydrophobic dodecyl moiety combined with diol functionality makes it a potential building block for surfactants or emulsifiers, supporting formulation stability in coatings, inks, and polymer blends; in adhesives and sealants, it may act as a compatibilizer or reactive additive to improve adhesion and network formation; it may be evaluated as a processing aid or solvent in cleaning formulations and in cosmetics/personal care preparations where emolliency and solubilization are desired, subject to regulatory compliance and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.36
    methanol 85.76
    isopropanol 8.68
    water 3.35
    ethyl acetate 9.43
    n-propanol 20.76
    acetone 11.86
    n-butanol 15.71
    acetonitrile 3.58
    DMF 61.1
    toluene 3.99
    isobutanol 15.0
    1,4-dioxane 19.12
    methyl acetate 7.95
    THF 54.82
    2-butanone 10.71
    n-pentanol 13.93
    sec-butanol 11.23
    n-hexane 0.76
    ethylene glycol 20.3
    NMP 154.54
    cyclohexane 3.4
    DMSO 302.16
    n-butyl acetate 14.24
    n-octanol 11.86
    chloroform 21.89
    n-propyl acetate 15.85
    acetic acid 100.18
    dichloromethane 20.55
    cyclohexanone 63.51
    propylene glycol 30.12
    isopropyl acetate 11.81
    DMAc 83.95
    2-ethoxyethanol 58.04
    isopentanol 16.51
    n-heptane 1.6
    ethyl formate 15.95
    1,2-dichloroethane 17.86
    n-hexanol 12.87
    2-methoxyethanol 79.85
    isobutyl acetate 12.08
    tetrachloromethane 7.96
    n-pentyl acetate 21.07
    transcutol 151.61
    n-heptanol 17.33
    ethylbenzene 3.63
    MIBK 13.94
    2-propoxyethanol 46.39
    tert-butanol 15.89
    MTBE 6.11
    2-butoxyethanol 56.12
    propionic acid 39.57
    o-xylene 6.73
    formic acid 89.94
    diethyl ether 3.09
    m-xylene 5.85
    p-xylene 4.9
    chlorobenzene 7.24
    dimethyl carbonate 10.39
    n-octane 0.92
    formamide 83.46
    cyclopentanone 72.21
    2-pentanone 12.11
    anisole 7.84
    cyclopentyl methyl ether 28.71
    gamma-butyrolactone 93.65
    1-methoxy-2-propanol 53.45
    pyridine 16.81
    3-pentanone 11.07
    furfural 86.79
    n-dodecane 0.57
    diethylene glycol 54.4
    diisopropyl ether 2.88
    tert-amyl alcohol 17.86
    acetylacetone 30.11
    n-hexadecane 0.64
    acetophenone 21.76
    methyl propionate 14.12
    isopentyl acetate 17.38
    trichloroethylene 40.93
    n-nonanol 11.61
    cyclohexanol 33.43
    benzyl alcohol 18.95
    2-ethylhexanol 11.12
    isooctanol 15.95
    dipropyl ether 8.13
    1,2-dichlorobenzene 12.26
    ethyl lactate 28.23
    propylene carbonate 55.83
    n-methylformamide 44.0
    2-pentanol 8.21
    n-pentane 0.7
    1-propoxy-2-propanol 37.36
    1-methoxy-2-propyl acetate 29.66
    2-(2-methoxypropoxy) propanol 40.73
    mesitylene 5.25
    ε-caprolactone 67.72
    p-cymene 6.01
    epichlorohydrin 52.87
    1,1,1-trichloroethane 13.85
    2-aminoethanol 42.06
    morpholine-4-carbaldehyde 102.36
    sulfolane 282.06
    2,2,4-trimethylpentane 1.3
    2-methyltetrahydrofuran 27.28
    n-hexyl acetate 20.54
    isooctane 0.77
    2-(2-butoxyethoxy)ethanol 61.78
    sec-butyl acetate 11.74
    tert-butyl acetate 20.9
    decalin 2.01
    glycerin 76.5
    diglyme 105.39
    acrylic acid 45.43
    isopropyl myristate 6.58
    n-butyric acid 52.38
    acetyl acetate 15.05
    di(2-ethylhexyl) phthalate 15.2
    ethyl propionate 13.05
    nitromethane 72.3
    1,2-diethoxyethane 16.05
    benzonitrile 12.54
    trioctyl phosphate 12.18
    1-bromopropane 5.08
    gamma-valerolactone 126.09
    n-decanol 7.39
    triethyl phosphate 17.46
    4-methyl-2-pentanol 8.25
    propionitrile 4.81
    vinylene carbonate 43.27
    1,1,2-trichlorotrifluoroethane 138.4
    DMS 18.93
    cumene 4.28
    2-octanol 8.85
    2-hexanone 12.01
    octyl acetate 9.82
    limonene 8.99
    1,2-dimethoxyethane 42.93
    ethyl orthosilicate 16.66
    tributyl phosphate 14.08
    diacetone alcohol 48.17
    N,N-dimethylaniline 11.01
    acrylonitrile 8.64
    aniline 10.93
    1,3-propanediol 53.41
    bromobenzene 6.16
    dibromomethane 12.07
    1,1,2,2-tetrachloroethane 46.55
    2-methyl-cyclohexyl acetate 22.65
    tetrabutyl urea 18.48
    diisobutyl methanol 8.0
    2-phenylethanol 17.19
    styrene 3.27
    dioctyl adipate 17.54
    dimethyl sulfate 43.38
    ethyl butyrate 15.92
    methyl lactate 33.91
    butyl lactate 40.92
    diethyl carbonate 11.32
    propanediol butyl ether 58.64
    triethyl orthoformate 18.47
    p-tert-butyltoluene 6.32
    methyl 4-tert-butylbenzoate 38.12
    morpholine 36.1
    tert-butylamine 6.77
    n-dodecanol 5.01
    dimethoxymethane 24.08
    ethylene carbonate 36.35
    cyrene 70.96
    2-ethoxyethyl acetate 28.83
    2-ethylhexyl acetate 13.32
    1,2,4-trichlorobenzene 18.47
    4-methylpyridine 12.41
    dibutyl ether 7.06
    2,6-dimethyl-4-heptanol 8.0
    DEF 31.43
    dimethyl isosorbide 75.59
    tetrachloroethylene 39.88
    eugenol 39.63
    triacetin 43.19
    span 80 41.38
    1,4-butanediol 24.91
    1,1-dichloroethane 8.25
    2-methyl-1-pentanol 14.73
    methyl formate 29.58
    2-methyl-1-butanol 17.47
    n-decane 1.11
    butyronitrile 5.24
    3,7-dimethyl-1-octanol 11.33
    1-chlorooctane 4.8
    1-chlorotetradecane 1.66
    n-nonane 1.06
    undecane 0.76
    tert-butylcyclohexane 1.57
    cyclooctane 1.52
    cyclopentanol 39.03
    tetrahydropyran 18.09
    tert-amyl methyl ether 8.94
    2,5,8-trioxanonane 69.36
    1-hexene 1.99
    2-isopropoxyethanol 35.91
    2,2,2-trifluoroethanol 57.19
    methyl butyrate 21.69

    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