1H-Imidazolium, 1-(carboxymethyl)-2-heptyl-4,5-dihydro-1-(2-hydroxyethyl)-, hydroxide, sodium salt (1:1:1)

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  • Identifiers

    CAS number
    13039-35-5

    Molecular formula
    C14H27N2NaO4

    SMILES
    CCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-].[OH-].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 40.0%
    Lactonic 23.96%
    Savory 23.77%
    Meaty 23.45%
    Animal 23.45%
    Fresh 22.88%
    Roasted 22.3%
    Milky 21.94%
    Oily 21.9%
    Fatty 21.6%

     

    Flavor
    Odorless 34.44%
    Bitter 30.51%
    Bland 28.72%
    Mild 28.09%
    Cedarleaf 20.48%
    Herbal 20.16%
    Bay oil 20.11%
    Slightly waxy 20.07%
    Sweet-like 19.93%
    Lovage 19.71%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.79 (weak acid)

    Molecular weight
    310.36 g/mol

    Flash point

    • -91.15 ˚C est.

  • Synonyms

    • 2-Imidazolinium, 1-(carboxymethyl)-2-heptyl-1-(2-hydroxyethyl)-, hydroxide, sodium salt
    • 1H-Imidazolium, 1-(carboxymethyl)-2-heptyl-4,5-dihydro-1-(2-hydroxyethyl)-, hydroxide, sodium salt (1:1:1)
    • RefChem:438470
    • 13039-35-5
    • 1H-Imidazolium, 1-(carboxymethyl)-2-heptyl-4,5-dihydro-1-(2-hydroxyethyl)-, hydroxide, monosodium salt
    • DTXSID60926712
    • RPMKFLHCEZQTGO-UHFFFAOYSA-M
    • EINECS 235-907-2
    • NS00014047
    • 1-(Carboxymethyl)-1-(2-hydroxyethyl)-2-heptyl-2-imidazolinium, hydroxide, monosodium salt
    • 1H-Imidazolium, 1-(carboxymethyl)-2-heptyl-1-(2-hydroxyethyl)-, hydroxide, sodium salt
    • Sodium hydroxide--[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium-1-yl]acetate (1/1/1)
    • 13039-35-5

  • Applications

    1H-Imidazolium, 1-(carboxymethyl)-2-heptyl-4,5-dihydro-1-(2-hydroxyethyl)-, hydroxide, sodium salt (1:1:1) (CAS 13039-35-5) is an imidazolium-based ionic liquid whose real-world applications span several industries: as a versatile solvent and reaction medium for organic synthesis and polymer processing; as an electrolyte or conductive medium in electrochemical devices such as batteries or supercapacitors; as a processing aid or stabilizer/compatibilizer in polymers and plastics; as a lubricant or friction-modifying additive in coatings and lubricants; and as a surfactant-like component or solvent modifier in cleaning formulations and specialty coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 309.22
    methanol 1139.92
    isopropanol 83.58
    water 32.01
    ethyl acetate 83.29
    n-propanol 160.41
    acetone 74.83
    n-butanol 87.43
    acetonitrile 64.45
    DMF 343.3
    toluene 16.9
    isobutanol 65.6
    1,4-dioxane 74.58
    methyl acetate 61.1
    THF 112.02
    2-butanone 42.48
    n-pentanol 43.94
    sec-butanol 47.45
    n-hexane 0.42
    ethylene glycol 355.1
    NMP 286.5
    cyclohexane 1.67
    DMSO 719.87
    n-butyl acetate 41.57
    n-octanol 10.69
    chloroform 211.08
    n-propyl acetate 32.84
    acetic acid 824.51
    dichloromethane 279.21
    cyclohexanone 124.48
    propylene glycol 249.03
    isopropyl acetate 49.93
    DMAc 272.74
    2-ethoxyethanol 176.51
    isopentanol 52.54
    n-heptane 0.36
    ethyl formate 132.47
    1,2-dichloroethane 156.59
    n-hexanol 32.02
    2-methoxyethanol 482.61
    isobutyl acetate 23.58
    tetrachloromethane 23.16
    n-pentyl acetate 24.49
    transcutol 325.74
    n-heptanol 15.19
    ethylbenzene 8.59
    MIBK 30.15
    2-propoxyethanol 127.11
    tert-butanol 58.84
    MTBE 11.82
    2-butoxyethanol 69.67
    propionic acid 225.69
    o-xylene 17.54
    formic acid 1288.98
    diethyl ether 13.7
    m-xylene 18.31
    p-xylene 11.46
    chlorobenzene 46.84
    dimethyl carbonate 45.61
    n-octane 0.33
    formamide 962.82
    cyclopentanone 156.87
    2-pentanone 42.37
    anisole 24.39
    cyclopentyl methyl ether 37.22
    gamma-butyrolactone 283.99
    1-methoxy-2-propanol 204.04
    pyridine 98.01
    3-pentanone 27.62
    furfural 317.82
    n-dodecane 0.39
    diethylene glycol 235.8
    diisopropyl ether 4.51
    tert-amyl alcohol 37.02
    acetylacetone 98.48
    n-hexadecane 0.45
    acetophenone 48.19
    methyl propionate 66.64
    isopentyl acetate 37.4
    trichloroethylene 308.85
    n-nonanol 10.86
    cyclohexanol 54.02
    benzyl alcohol 65.12
    2-ethylhexanol 13.95
    isooctanol 12.95
    dipropyl ether 6.38
    1,2-dichlorobenzene 55.95
    ethyl lactate 51.3
    propylene carbonate 161.7
    n-methylformamide 401.45
    2-pentanol 25.51
    n-pentane 0.57
    1-propoxy-2-propanol 59.87
    1-methoxy-2-propyl acetate 68.63
    2-(2-methoxypropoxy) propanol 62.8
    mesitylene 11.42
    ε-caprolactone 142.19
    p-cymene 8.11
    epichlorohydrin 237.41
    1,1,1-trichloroethane 68.24
    2-aminoethanol 420.66
    morpholine-4-carbaldehyde 230.56
    sulfolane 360.92
    2,2,4-trimethylpentane 0.81
    2-methyltetrahydrofuran 52.86
    n-hexyl acetate 26.62
    isooctane 0.55
    2-(2-butoxyethoxy)ethanol 86.52
    sec-butyl acetate 21.34
    tert-butyl acetate 37.95
    decalin 1.3
    glycerin 413.38
    diglyme 152.09
    acrylic acid 270.64
    isopropyl myristate 9.58
    n-butyric acid 260.62
    acetyl acetate 88.97
    di(2-ethylhexyl) phthalate 27.02
    ethyl propionate 28.91
    nitromethane 563.47
    1,2-diethoxyethane 32.08
    benzonitrile 63.85
    trioctyl phosphate 15.98
    1-bromopropane 31.44
    gamma-valerolactone 269.46
    n-decanol 7.89
    triethyl phosphate 21.7
    4-methyl-2-pentanol 17.22
    propionitrile 48.89
    vinylene carbonate 172.1
    1,1,2-trichlorotrifluoroethane 398.55
    DMS 46.03
    cumene 7.66
    2-octanol 7.34
    2-hexanone 20.19
    octyl acetate 14.26
    limonene 9.11
    1,2-dimethoxyethane 105.37
    ethyl orthosilicate 18.83
    tributyl phosphate 19.96
    diacetone alcohol 73.67
    N,N-dimethylaniline 22.39
    acrylonitrile 101.9
    aniline 59.19
    1,3-propanediol 368.69
    bromobenzene 39.9
    dibromomethane 118.53
    1,1,2,2-tetrachloroethane 199.14
    2-methyl-cyclohexyl acetate 28.71
    tetrabutyl urea 25.98
    diisobutyl methanol 7.56
    2-phenylethanol 52.03
    styrene 10.76
    dioctyl adipate 23.72
    dimethyl sulfate 117.73
    ethyl butyrate 25.46
    methyl lactate 110.29
    butyl lactate 46.51
    diethyl carbonate 23.52
    propanediol butyl ether 78.74
    triethyl orthoformate 21.62
    p-tert-butyltoluene 7.17
    methyl 4-tert-butylbenzoate 48.66
    morpholine 128.78
    tert-butylamine 16.0
    n-dodecanol 5.78
    dimethoxymethane 105.69
    ethylene carbonate 133.16
    cyrene 89.03
    2-ethoxyethyl acetate 54.82
    2-ethylhexyl acetate 25.84
    1,2,4-trichlorobenzene 73.12
    4-methylpyridine 77.07
    dibutyl ether 5.74
    2,6-dimethyl-4-heptanol 7.56
    DEF 84.28
    dimethyl isosorbide 98.09
    tetrachloroethylene 151.38
    eugenol 62.24
    triacetin 57.77
    span 80 54.59
    1,4-butanediol 123.76
    1,1-dichloroethane 81.13
    2-methyl-1-pentanol 33.73
    methyl formate 256.13
    2-methyl-1-butanol 47.74
    n-decane 0.57
    butyronitrile 49.12
    3,7-dimethyl-1-octanol 13.07
    1-chlorooctane 4.03
    1-chlorotetradecane 1.84
    n-nonane 0.45
    undecane 0.46
    tert-butylcyclohexane 0.93
    cyclooctane 0.68
    cyclopentanol 74.59
    tetrahydropyran 40.87
    tert-amyl methyl ether 12.37
    2,5,8-trioxanonane 107.27
    1-hexene 2.51
    2-isopropoxyethanol 72.73
    2,2,2-trifluoroethanol 337.41
    methyl butyrate 46.16

    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