Pendecamaine

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  • Identifiers

    CAS number
    32954-43-1

    Molecular formula
    C23H46N2O3

    SMILES
    CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]

    Safety labels

  • Odor profile

    Fragrance
    Waxy 34.88%
    Savory 33.29%
    Meaty 33.1%
    Fatty 32.36%
    Odorless 32.12%
    Cooling 28.94%
    Animal 28.62%
    Fishy 26.8%
    Woody 24.73%
    Fresh 23.69%

     

    Flavor
    Bland 39.02%
    Odorless 31.73%
    Mild 30.48%
    Faint 23.14%
    Herbal 21.84%
    Slightly waxy 21.13%
    Delicate 20.25%
    Bay oil 20.07%
    Cedarleaf 19.4%
    Beer 19.11%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    5.29 (weak acid)

    Molecular weight
    398.6 g/mol

    Flash point

    • -41.16 ˚C est.

  • Synonyms

    • Pendecamaine
    • Palmitamidopropyl betaine
    • Pendecamaina
    • Pendecamainum
    • Pendecamaine [INN:BAN]
    • Pendecamainum [INN-Latin]
    • Pendecamaina [INN-Spanish]
    • WP8C6WF33S
    • 3-Palmitoylamidopropyl betaine
    • EINECS 251-306-8
    • PENDECAMAINE [INN]
    • PENDECAMAINE [MART.]
    • N-Palmitoylamidopropyl-N,N-dimethylbetaine
    • DTXSID3067734
    • 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-, inner salt
    • Pendecamainum (INN-Latin)
    • Pendecamaina (INN-Spanish)
    • 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-((1-oxohexadecyl)amino)-, inner salt
    • PENDECAMAINE (MART.)
    • 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-((1-oxohexadecyl)amino)-, hydroxide, inner salt
    • 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-, hydroxide, inner salt
    • RefChem:859301
    • DTXCID6038615
    • PALMITAMIDOPROPYL BETAINE [INCI]
    • 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-(1-oxohexadecyl)amino-, inner salt
    • 251-306-8
    • N-(Carboxymethyl)-N,N-dimethyl-3-((1-oxohexadecyl)amino)-1-propan-aminium hydroxide, inner salt
    • 32954-43-1
    • 2-[3-(hexadecanoylamino)propyl-dimethylazaniumyl]acetate
    • 2-(Dimethyl(3-palmitamidopropyl)ammonio)acetate
    • Palmitoylamide Propylbetaine
    • 2-(Dimethyl(3-palmitamidopropyl)ammonio)acetate;
    • UNII-WP8C6WF33S
    • SCHEMBL144347
    • CHEMBL2105283
    • OTKWLUKIHNEGIG-UHFFFAOYSA-N
    • (Carboxymethyl)dimethyl(3-palmitamidopropyl)ammonium hydroxide inner salt
    • MSK175419-100A
    • NS00013931
    • NS00076904
    • pendecamaine Solution in Acetonitrile, 100ug/mL
    • [(3-Hexadecanamidopropyl)di(methyl)azaniumyl]acetate
    • Q27292768
    • N-(Carboxymethyl)-N,N-dimethyl-3-((1-oxohexadecyl)amino)-1-propan- aminium hydroxide, inner salt
    • 32954-43-1

  • Applications

    Pendecamaine (CAS 32954-43-1) is used as an intermediate in organic synthesis and can serve as a solvent or processing aid in chemical manufacturing. In coatings and inks, it may act as a reactive curing agent or functional additive; in the polymers and plastics sector, it may function as a monomer or specialty additive to modify material properties. In the adhesives industry, it can act as a curing component to promote adhesion. Overall, applications are formulation-dependent and subject to local regulations and formulation limits; verify use in each case.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.97
    methanol 65.87
    isopropanol 11.74
    water 4.07
    ethyl acetate 15.34
    n-propanol 21.81
    acetone 26.25
    n-butanol 15.39
    acetonitrile 8.16
    DMF 68.1
    toluene 8.36
    isobutanol 15.15
    1,4-dioxane 25.27
    methyl acetate 18.07
    THF 59.87
    2-butanone 25.37
    n-pentanol 13.15
    sec-butanol 14.39
    n-hexane 1.17
    ethylene glycol 11.23
    NMP 200.97
    cyclohexane 3.18
    DMSO 91.5
    n-butyl acetate 17.28
    n-octanol 10.73
    chloroform 83.67
    n-propyl acetate 19.16
    acetic acid 112.2
    dichloromethane 75.99
    cyclohexanone 75.33
    propylene glycol 19.31
    isopropyl acetate 12.44
    DMAc 128.11
    2-ethoxyethanol 42.49
    isopentanol 12.67
    n-heptane 0.87
    ethyl formate 22.38
    1,2-dichloroethane 45.06
    n-hexanol 10.82
    2-methoxyethanol 55.6
    isobutyl acetate 13.58
    tetrachloromethane 19.2
    n-pentyl acetate 27.48
    transcutol 123.15
    n-heptanol 13.34
    ethylbenzene 5.83
    MIBK 13.69
    2-propoxyethanol 38.22
    tert-butanol 13.81
    MTBE 8.15
    2-butoxyethanol 46.35
    propionic acid 46.06
    o-xylene 10.31
    formic acid 86.47
    diethyl ether 5.8
    m-xylene 7.27
    p-xylene 7.97
    chlorobenzene 16.13
    dimethyl carbonate 13.6
    n-octane 0.64
    formamide 92.77
    cyclopentanone 83.65
    2-pentanone 17.87
    anisole 10.71
    cyclopentyl methyl ether 26.09
    gamma-butyrolactone 105.31
    1-methoxy-2-propanol 36.16
    pyridine 35.61
    3-pentanone 17.69
    furfural 95.81
    n-dodecane 0.39
    diethylene glycol 31.84
    diisopropyl ether 2.69
    tert-amyl alcohol 17.9
    acetylacetone 28.9
    n-hexadecane 0.44
    acetophenone 24.38
    methyl propionate 20.85
    isopentyl acetate 18.43
    trichloroethylene 99.73
    n-nonanol 10.56
    cyclohexanol 28.16
    benzyl alcohol 20.24
    2-ethylhexanol 8.76
    isooctanol 11.75
    dipropyl ether 6.89
    1,2-dichlorobenzene 21.09
    ethyl lactate 21.37
    propylene carbonate 57.86
    n-methylformamide 52.21
    2-pentanol 8.38
    n-pentane 0.99
    1-propoxy-2-propanol 27.93
    1-methoxy-2-propyl acetate 28.29
    2-(2-methoxypropoxy) propanol 37.83
    mesitylene 5.15
    ε-caprolactone 80.4
    p-cymene 5.61
    epichlorohydrin 80.21
    1,1,1-trichloroethane 35.73
    2-aminoethanol 27.29
    morpholine-4-carbaldehyde 93.64
    sulfolane 212.04
    2,2,4-trimethylpentane 1.29
    2-methyltetrahydrofuran 37.56
    n-hexyl acetate 25.59
    isooctane 0.52
    2-(2-butoxyethoxy)ethanol 49.71
    sec-butyl acetate 13.07
    tert-butyl acetate 16.97
    decalin 1.77
    glycerin 41.83
    diglyme 90.27
    acrylic acid 51.13
    isopropyl myristate 7.14
    n-butyric acid 49.27
    acetyl acetate 17.38
    di(2-ethylhexyl) phthalate 16.16
    ethyl propionate 15.75
    nitromethane 85.44
    1,2-diethoxyethane 17.34
    benzonitrile 16.0
    trioctyl phosphate 10.79
    1-bromopropane 15.07
    gamma-valerolactone 132.63
    n-decanol 6.4
    triethyl phosphate 15.96
    4-methyl-2-pentanol 6.33
    propionitrile 8.75
    vinylene carbonate 53.38
    1,1,2-trichlorotrifluoroethane 144.61
    DMS 23.3
    cumene 5.27
    2-octanol 8.05
    2-hexanone 17.27
    octyl acetate 11.58
    limonene 8.17
    1,2-dimethoxyethane 39.59
    ethyl orthosilicate 14.93
    tributyl phosphate 13.38
    diacetone alcohol 33.33
    N,N-dimethylaniline 11.38
    acrylonitrile 14.65
    aniline 18.86
    1,3-propanediol 29.82
    bromobenzene 13.43
    dibromomethane 42.48
    1,1,2,2-tetrachloroethane 97.52
    2-methyl-cyclohexyl acetate 22.91
    tetrabutyl urea 19.06
    diisobutyl methanol 4.84
    2-phenylethanol 17.46
    styrene 5.89
    dioctyl adipate 18.79
    dimethyl sulfate 43.12
    ethyl butyrate 16.12
    methyl lactate 27.28
    butyl lactate 36.2
    diethyl carbonate 12.08
    propanediol butyl ether 43.02
    triethyl orthoformate 17.37
    p-tert-butyltoluene 5.26
    methyl 4-tert-butylbenzoate 39.92
    morpholine 46.96
    tert-butylamine 7.1
    n-dodecanol 3.97
    dimethoxymethane 26.38
    ethylene carbonate 42.73
    cyrene 56.86
    2-ethoxyethyl acetate 37.99
    2-ethylhexyl acetate 16.09
    1,2,4-trichlorobenzene 29.91
    4-methylpyridine 25.41
    dibutyl ether 7.02
    2,6-dimethyl-4-heptanol 4.84
    DEF 35.92
    dimethyl isosorbide 61.54
    tetrachloroethylene 82.46
    eugenol 38.65
    triacetin 47.98
    span 80 35.71
    1,4-butanediol 15.14
    1,1-dichloroethane 26.8
    2-methyl-1-pentanol 13.33
    methyl formate 35.54
    2-methyl-1-butanol 16.19
    n-decane 0.85
    butyronitrile 9.07
    3,7-dimethyl-1-octanol 9.16
    1-chlorooctane 5.4
    1-chlorotetradecane 1.53
    n-nonane 0.77
    undecane 0.54
    tert-butylcyclohexane 1.32
    cyclooctane 1.04
    cyclopentanol 32.01
    tetrahydropyran 26.95
    tert-amyl methyl ether 11.21
    2,5,8-trioxanonane 55.61
    1-hexene 3.87
    2-isopropoxyethanol 26.22
    2,2,2-trifluoroethanol 70.34
    methyl butyrate 23.91

    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