Propanoic acid, 3-(2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy)-, sodium salt (1:1)

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  • Identifiers

    CAS number
    68877-55-4

    Molecular formula
    C15H27N2NaO3

    SMILES
    CCCCCCCC1=NCCN1CCOCCC(=O)[O-].[Na+]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 38.95%
    Roasted 25.0%
    Oily 24.88%
    Savory 24.72%
    Meaty 23.83%
    Lactonic 22.81%
    Nutty 22.18%
    Cooling 21.9%
    Fresh 21.56%
    Fishy 21.17%

     

    Flavor
    Odorless 30.62%
    Bland 29.77%
    Mild 26.56%
    Fatty 22.85%
    Bitter 21.5%
    Slightly waxy 20.76%
    Bay oil 20.67%
    Sweet-like 20.5%
    Carrot 20.44%
    Cedarleaf 20.4%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.07 (neutral)

    Molecular weight
    306.38 g/mol

    Flash point

    • 192.67 ˚C est.

  • Synonyms

    • 68877-55-4
    • 1-(Carboxyethoxyethyl)-2-heptyl-2-imidazoline sodium salt
    • EINECS 272-563-2
    • DTXSID1071795
    • 3-(2-(2-Heptylimidazolin-1-yl)ethoxy)propionic acid, sodium salt
    • 1-(Carboxyethoxyethyl)-2-heptyl-2-imidazoline, sodium salt
    • Sodium 3-(2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy)propionate
    • Propanoic acid, 3-(2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy)-, sodium salt
    • Propanoic acid, 3-(2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy)-, sodium salt (1:1)
    • Sodium 3-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propionate
    • Propanoic acid, 3-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]-, sodium salt
    • Propanoic acid, 3-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]-, sodium salt (1:1)
    • RefChem:869353
    • DTXCID0046278
    • Propanoic acid, 3-2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy-, sodium salt
    • 272-563-2
    • sodium 3-[2-(2-heptyl-4,5-dihydro-1h-imidazol-1-yl)ethoxy]propanoate
    • sodium;3-[2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoate
    • SCHEMBL3900263
    • KHKRPRQZEUYKNE-UHFFFAOYSA-M
    • NS00090855
    • 68877-55-4

  • Applications

    Propanoic acid, 3-(2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy)-, sodium salt (1:1) may be used as an anionic surfactant and emulsifier in household and industrial cleaners; as a wetting agent and dispersant in coatings, inks, and paints; as a stabilizer/dispersant in polymer and plastics formulations; in cosmetics and personal care as an emulsifier or conditioning agent; and as an intermediate in organic synthesis for pharmaceutical or agrochemical products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 237.09
    methanol 541.82
    isopropanol 105.59
    water 4.74
    ethyl acetate 98.32
    n-propanol 152.49
    acetone 168.03
    n-butanol 108.37
    acetonitrile 103.51
    DMF 274.51
    toluene 37.61
    isobutanol 99.2
    1,4-dioxane 134.9
    methyl acetate 89.12
    THF 208.64
    2-butanone 99.86
    n-pentanol 79.37
    sec-butanol 76.75
    n-hexane 1.42
    ethylene glycol 113.28
    NMP 246.87
    cyclohexane 4.96
    DMSO 777.49
    n-butyl acetate 56.81
    n-octanol 16.77
    chloroform 478.05
    n-propyl acetate 60.51
    acetic acid 536.08
    dichloromethane 520.34
    cyclohexanone 181.36
    propylene glycol 122.53
    isopropyl acetate 65.88
    DMAc 348.7
    2-ethoxyethanol 211.6
    isopentanol 87.04
    n-heptane 0.91
    ethyl formate 106.95
    1,2-dichloroethane 262.02
    n-hexanol 40.73
    2-methoxyethanol 308.55
    isobutyl acetate 48.43
    tetrachloromethane 51.83
    n-pentyl acetate 34.93
    transcutol 453.44
    n-heptanol 17.52
    ethylbenzene 18.03
    MIBK 55.18
    2-propoxyethanol 127.93
    tert-butanol 107.52
    MTBE 35.18
    2-butoxyethanol 70.88
    propionic acid 181.29
    o-xylene 33.45
    formic acid 392.48
    diethyl ether 34.72
    m-xylene 35.97
    p-xylene 26.28
    chlorobenzene 80.2
    dimethyl carbonate 42.73
    n-octane 0.64
    formamide 348.05
    cyclopentanone 191.61
    2-pentanone 76.5
    anisole 47.86
    cyclopentyl methyl ether 69.45
    gamma-butyrolactone 262.65
    1-methoxy-2-propanol 172.94
    pyridine 150.23
    3-pentanone 54.72
    furfural 288.67
    n-dodecane 0.85
    diethylene glycol 161.68
    diisopropyl ether 10.52
    tert-amyl alcohol 70.76
    acetylacetone 131.83
    n-hexadecane 0.99
    acetophenone 74.05
    methyl propionate 74.41
    isopentyl acetate 56.82
    trichloroethylene 509.74
    n-nonanol 17.35
    cyclohexanol 90.64
    benzyl alcohol 83.91
    2-ethylhexanol 22.24
    isooctanol 17.34
    dipropyl ether 14.49
    1,2-dichlorobenzene 85.69
    ethyl lactate 58.66
    propylene carbonate 155.39
    n-methylformamide 209.4
    2-pentanol 42.45
    n-pentane 1.57
    1-propoxy-2-propanol 69.85
    1-methoxy-2-propyl acetate 83.48
    2-(2-methoxypropoxy) propanol 93.59
    mesitylene 21.85
    ε-caprolactone 166.25
    p-cymene 13.74
    epichlorohydrin 308.86
    1,1,1-trichloroethane 158.84
    2-aminoethanol 196.93
    morpholine-4-carbaldehyde 215.75
    sulfolane 356.45
    2,2,4-trimethylpentane 2.16
    2-methyltetrahydrofuran 120.38
    n-hexyl acetate 43.83
    isooctane 1.39
    2-(2-butoxyethoxy)ethanol 118.51
    sec-butyl acetate 42.34
    tert-butyl acetate 61.41
    decalin 3.39
    glycerin 210.44
    diglyme 215.29
    acrylic acid 190.6
    isopropyl myristate 17.59
    n-butyric acid 217.95
    acetyl acetate 101.61
    di(2-ethylhexyl) phthalate 36.91
    ethyl propionate 47.21
    nitromethane 453.92
    1,2-diethoxyethane 66.48
    benzonitrile 86.61
    trioctyl phosphate 20.33
    1-bromopropane 80.14
    gamma-valerolactone 296.89
    n-decanol 12.96
    triethyl phosphate 35.03
    4-methyl-2-pentanol 28.34
    propionitrile 73.93
    vinylene carbonate 153.48
    1,1,2-trichlorotrifluoroethane 385.04
    DMS 56.72
    cumene 15.51
    2-octanol 10.48
    2-hexanone 51.56
    octyl acetate 23.42
    limonene 17.69
    1,2-dimethoxyethane 185.34
    ethyl orthosilicate 32.01
    tributyl phosphate 29.2
    diacetone alcohol 94.77
    N,N-dimethylaniline 39.07
    acrylonitrile 109.9
    aniline 84.67
    1,3-propanediol 210.85
    bromobenzene 75.52
    dibromomethane 264.73
    1,1,2,2-tetrachloroethane 371.58
    2-methyl-cyclohexyl acetate 47.63
    tetrabutyl urea 38.28
    diisobutyl methanol 12.78
    2-phenylethanol 57.95
    styrene 23.6
    dioctyl adipate 41.43
    dimethyl sulfate 106.72
    ethyl butyrate 42.23
    methyl lactate 85.84
    butyl lactate 51.52
    diethyl carbonate 37.19
    propanediol butyl ether 83.62
    triethyl orthoformate 37.73
    p-tert-butyltoluene 12.21
    methyl 4-tert-butylbenzoate 65.61
    morpholine 193.94
    tert-butylamine 37.03
    n-dodecanol 9.71
    dimethoxymethane 117.0
    ethylene carbonate 127.21
    cyrene 106.57
    2-ethoxyethyl acetate 72.49
    2-ethylhexyl acetate 41.59
    1,2,4-trichlorobenzene 114.0
    4-methylpyridine 117.83
    dibutyl ether 16.39
    2,6-dimethyl-4-heptanol 12.78
    DEF 111.66
    dimethyl isosorbide 129.92
    tetrachloroethylene 247.09
    eugenol 75.44
    triacetin 83.97
    span 80 68.52
    1,4-butanediol 106.48
    1,1-dichloroethane 188.78
    2-methyl-1-pentanol 69.01
    methyl formate 134.33
    2-methyl-1-butanol 82.66
    n-decane 1.24
    butyronitrile 77.61
    3,7-dimethyl-1-octanol 22.12
    1-chlorooctane 8.57
    1-chlorotetradecane 3.88
    n-nonane 0.98
    undecane 0.99
    tert-butylcyclohexane 2.49
    cyclooctane 1.57
    cyclopentanol 104.81
    tetrahydropyran 96.22
    tert-amyl methyl ether 30.89
    2,5,8-trioxanonane 160.73
    1-hexene 9.0
    2-isopropoxyethanol 110.52
    2,2,2-trifluoroethanol 215.48
    methyl butyrate 74.41

    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