Sodium piperazinoethyl acetate ethylsulfonate

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  • Identifiers

    CAS number
    457064-50-5

    Molecular formula
    C10H19N2NaO5S

    SMILES
    CC(=O)OCCN1CCN(CC1)CCS(=O)(=O)[O-].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 79.98%
    Savory 22.69%
    Cooked 17.84%
    Popcorn 16.88%
    Roasted 16.55%
    Meaty 16.2%
    Cooling 15.91%
    Nutty 14.78%
    Fishy 13.93%
    Alcoholic 13.25%

     

    Flavor
    Bitter 76.2%
    Odorless 36.09%
    Bland 27.98%
    Mild 22.34%
    Sweet-like 21.09%
    Nitrile 19.95%
    Cedarleaf 19.53%
    Taco 19.39%
    Yeast 19.14%
    Orange flower 19.07%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.49 (weak acid)

    Molecular weight
    302.33 g/mol

    Flash point

    • 202.52 ˚C est.

  • Synonyms

    • Hepes acetate
    • Sodium piperazinoethyl acetate ethylsulfonate
    • UNII-C9AV4JKG3G
    • C9AV4JKG3G
    • 457064-50-5
    • 1-Piperazineethanesulfonic acid, 4-(2-(acetyloxy)ethyl)-, sodium salt
    • 1-Piperazineethanesulfonic acid, 4-(2-(acetyloxy)ethyl)-, sodium salt (1:1)
    • DTXSID50196604
    • RefChem:184084
    • DTXCID50119095
    • SODIUM PIPERAZINOETHYL ACETATE ETHYLSULFONATE [INCI]
    • SCHEMBL31293645
    • Q27275357
    • Sodium 2-{4-[2-(acetyloxy)ethyl]piperazin-1-yl}ethane-1-sulfonate
    • 457064-50-5

  • Applications

    Sodium piperazinoethyl acetate ethylsulfonate (CAS 457064-50-5) may serve as a surfactant and dispersant in household and industrial cleaning formulations; can function as an emulsifier and pigment/particle dispersant in paints, coatings, and inks; can act as a wetting and emulsifying agent in cosmetic and personal care formulations; may be used as a processing aid and dispersant in polymer and plastics processing; can be employed as an agricultural adjuvant/surfactant in spray formulations for crop protection products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.69
    methanol 7.62
    isopropanol 0.46
    water 15.41
    ethyl acetate 1.15
    n-propanol 0.65
    acetone 2.14
    n-butanol 0.41
    acetonitrile 2.55
    DMF 26.58
    toluene 0.5
    isobutanol 0.35
    1,4-dioxane 3.19
    methyl acetate 1.61
    THF 3.53
    2-butanone 1.3
    n-pentanol 0.23
    sec-butanol 0.3
    n-hexane 0.03
    ethylene glycol 4.55
    NMP 66.58
    cyclohexane 0.18
    DMSO 45.78
    n-butyl acetate 0.69
    n-octanol 0.17
    chloroform 4.2
    n-propyl acetate 0.64
    acetic acid 14.27
    dichloromethane 6.36
    cyclohexanone 5.73
    propylene glycol 2.04
    isopropyl acetate 0.56
    DMAc 39.77
    2-ethoxyethanol 3.96
    isopentanol 0.33
    n-heptane 0.05
    ethyl formate 4.21
    1,2-dichloroethane 3.12
    n-hexanol 0.21
    2-methoxyethanol 13.89
    isobutyl acetate 0.31
    tetrachloromethane 0.71
    n-pentyl acetate 0.36
    transcutol 10.6
    n-heptanol 0.18
    ethylbenzene 0.27
    MIBK 0.49
    2-propoxyethanol 2.73
    tert-butanol 0.4
    MTBE 0.12
    2-butoxyethanol 1.41
    propionic acid 3.27
    o-xylene 0.77
    formic acid 61.6
    diethyl ether 0.28
    m-xylene 0.42
    p-xylene 0.47
    chlorobenzene 1.09
    dimethyl carbonate 2.05
    n-octane 0.02
    formamide 78.59
    cyclopentanone 6.84
    2-pentanone 0.73
    anisole 0.9
    cyclopentyl methyl ether 0.92
    gamma-butyrolactone 15.25
    1-methoxy-2-propanol 3.69
    pyridine 5.08
    3-pentanone 0.96
    furfural 29.85
    n-dodecane 0.02
    diethylene glycol 8.33
    diisopropyl ether 0.08
    tert-amyl alcohol 0.32
    acetylacetone 2.94
    n-hexadecane 0.02
    acetophenone 2.58
    methyl propionate 1.7
    isopentyl acetate 0.69
    trichloroethylene 7.49
    n-nonanol 0.19
    cyclohexanol 0.74
    benzyl alcohol 1.75
    2-ethylhexanol 0.19
    isooctanol 0.15
    dipropyl ether 0.3
    1,2-dichlorobenzene 1.76
    ethyl lactate 1.72
    propylene carbonate 7.49
    n-methylformamide 17.59
    2-pentanol 0.15
    n-pentane 0.03
    1-propoxy-2-propanol 1.43
    1-methoxy-2-propyl acetate 2.03
    2-(2-methoxypropoxy) propanol 3.85
    mesitylene 0.33
    ε-caprolactone 6.13
    p-cymene 0.35
    epichlorohydrin 8.08
    1,1,1-trichloroethane 1.39
    2-aminoethanol 4.35
    morpholine-4-carbaldehyde 33.77
    sulfolane 30.84
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.37
    n-hexyl acetate 0.43
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.61
    sec-butyl acetate 0.36
    tert-butyl acetate 0.56
    decalin 0.06
    glycerin 11.56
    diglyme 8.72
    acrylic acid 7.11
    isopropyl myristate 0.23
    n-butyric acid 2.77
    acetyl acetate 1.91
    di(2-ethylhexyl) phthalate 0.97
    ethyl propionate 0.79
    nitromethane 25.5
    1,2-diethoxyethane 0.89
    benzonitrile 2.33
    trioctyl phosphate 0.39
    1-bromopropane 0.51
    gamma-valerolactone 22.59
    n-decanol 0.14
    triethyl phosphate 1.48
    4-methyl-2-pentanol 0.11
    propionitrile 1.15
    vinylene carbonate 9.37
    1,1,2-trichlorotrifluoroethane 20.88
    DMS 1.57
    cumene 0.24
    2-octanol 0.09
    2-hexanone 0.45
    octyl acetate 0.31
    limonene 0.39
    1,2-dimethoxyethane 6.0
    ethyl orthosilicate 1.13
    tributyl phosphate 0.67
    diacetone alcohol 1.8
    N,N-dimethylaniline 1.05
    acrylonitrile 3.09
    aniline 1.68
    1,3-propanediol 4.0
    bromobenzene 0.94
    dibromomethane 2.82
    1,1,2,2-tetrachloroethane 5.4
    2-methyl-cyclohexyl acetate 1.28
    tetrabutyl urea 1.43
    diisobutyl methanol 0.17
    2-phenylethanol 1.28
    styrene 0.33
    dioctyl adipate 0.79
    dimethyl sulfate 8.01
    ethyl butyrate 1.0
    methyl lactate 4.33
    butyl lactate 1.15
    diethyl carbonate 1.13
    propanediol butyl ether 1.96
    triethyl orthoformate 1.09
    p-tert-butyltoluene 0.3
    methyl 4-tert-butylbenzoate 2.29
    morpholine 4.52
    tert-butylamine 0.17
    n-dodecanol 0.12
    dimethoxymethane 4.2
    ethylene carbonate 5.53
    cyrene 9.42
    2-ethoxyethyl acetate 1.04
    2-ethylhexyl acetate 0.57
    1,2,4-trichlorobenzene 2.67
    4-methylpyridine 3.2
    dibutyl ether 0.18
    2,6-dimethyl-4-heptanol 0.17
    DEF 3.73
    dimethyl isosorbide 8.95
    tetrachloroethylene 4.22
    eugenol 3.16
    triacetin 2.07
    span 80 2.0
    1,4-butanediol 1.2
    1,1-dichloroethane 1.09
    2-methyl-1-pentanol 0.22
    methyl formate 12.92
    2-methyl-1-butanol 0.3
    n-decane 0.03
    butyronitrile 0.86
    3,7-dimethyl-1-octanol 0.21
    1-chlorooctane 0.09
    1-chlorotetradecane 0.05
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.06
    cyclopentanol 1.19
    tetrahydropyran 1.08
    tert-amyl methyl ether 0.19
    2,5,8-trioxanonane 8.3
    1-hexene 0.07
    2-isopropoxyethanol 1.33
    2,2,2-trifluoroethanol 13.78
    methyl butyrate 1.31

    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