4-(2-((2-Hydroxyethyl)(1-oxooleyl)amino)ethyl) hydrogen 2-sulphosuccinate, compound with 2,2',2''-nitrilotri(ethanol) (1:2)

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  • Identifiers

    CAS number
    85480-94-0

    Molecular formula
    C38H77N3O15S

    SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCOC(=O)CC(C(=O)O)S(=O)(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.87%
    Savory 31.56%
    Fatty 27.81%
    Meaty 24.54%
    Oily 23.94%
    Milky 22.93%
    Cooling 20.87%
    Lactonic 20.79%
    Fresh 20.53%
    Waxy 20.18%

     

    Flavor
    Odorless 39.67%
    Bland 35.94%
    Bitter 34.78%
    Mild 29.43%
    Faint 21.99%
    Slightly waxy 20.11%
    Sweet-like 19.87%
    Bay oil 19.84%
    Cedarleaf 19.49%
    Heather 19.28%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.33 (weak acid)

    Molecular weight
    848.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1002°C

    Flash point

    • 254.23 ˚C est.

  • Synonyms

    • EINECS 287-374-0
    • 4-(2-((2-Hydroxyethyl)(1-oxooleyl)amino)ethyl) hydrogen 2-sulphosuccinate, compound with 2,2',2''-nitrilotri(ethanol) (1:2)
    • 85480-94-0
    • 4-[2-[(2-hydroxyethyl)(1-oxooleyl)amino]ethyl] hydrogen 2-sulphosuccinate, compound with 2,2',2''-nitrilotri[ethanol] (1:2)
    • RefChem:96998
    • 287-374-0
    • SCHEMBL29391176
    • NS00066196
    • 85480-94-0

  • Applications

    CAS number: 85480-94-0; the chemical name 4-(2-((2-Hydroxyethyl)(1-oxooleyl)amino)ethyl) hydrogen 2-sulphosuccinate, compound with 2,2',2''-nitrilotri(ethanol) (1:2), is used primarily as an anionic surfactant and emulsifier in aqueous formulations such as detergents, cleaners, and cosmetic systems; it also serves as a dispersant and stabilizer in polymer processing and coatings/inks; owing to the nitrilotriethanol moiety, it can function as a chelating/complexing component in cleaning and multi-component formulations, and is evaluated for use in agricultural adjuvant formulations to improve wetting and spread, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.34
    methanol 11.6
    isopropanol 2.36
    water 0.14
    ethyl acetate 2.89
    n-propanol 3.71
    acetone 13.98
    n-butanol 2.54
    acetonitrile 3.24
    DMF 88.76
    toluene 1.44
    isobutanol 2.1
    1,4-dioxane 9.01
    methyl acetate 4.94
    THF 26.5
    2-butanone 9.32
    n-pentanol 2.57
    sec-butanol 2.46
    n-hexane 0.13
    ethylene glycol 2.0
    NMP 160.89
    cyclohexane 0.31
    DMSO 92.29
    n-butyl acetate 1.83
    n-octanol 1.39
    chloroform 7.66
    n-propyl acetate 3.18
    acetic acid 20.78
    dichloromethane 9.8
    cyclohexanone 19.87
    propylene glycol 3.9
    isopropyl acetate 2.22
    DMAc 161.37
    2-ethoxyethanol 12.47
    isopentanol 1.98
    n-heptane 0.1
    ethyl formate 4.37
    1,2-dichloroethane 7.22
    n-hexanol 1.13
    2-methoxyethanol 18.01
    isobutyl acetate 1.69
    tetrachloromethane 1.23
    n-pentyl acetate 3.16
    transcutol 24.31
    n-heptanol 1.41
    ethylbenzene 0.98
    MIBK 3.08
    2-propoxyethanol 7.34
    tert-butanol 2.65
    MTBE 1.67
    2-butoxyethanol 7.38
    propionic acid 6.68
    o-xylene 1.66
    formic acid 14.22
    diethyl ether 1.33
    m-xylene 1.04
    p-xylene 1.43
    chlorobenzene 1.98
    dimethyl carbonate 5.6
    n-octane 0.08
    formamide 23.63
    cyclopentanone 31.16
    2-pentanone 5.4
    anisole 3.71
    cyclopentyl methyl ether 5.53
    gamma-butyrolactone 29.59
    1-methoxy-2-propanol 12.29
    pyridine 10.45
    3-pentanone 5.39
    furfural 25.62
    n-dodecane 0.06
    diethylene glycol 6.28
    diisopropyl ether 0.4
    tert-amyl alcohol 3.16
    acetylacetone 10.72
    n-hexadecane 0.07
    acetophenone 8.14
    methyl propionate 5.53
    isopentyl acetate 1.84
    trichloroethylene 14.61
    n-nonanol 1.48
    cyclohexanol 3.14
    benzyl alcohol 5.09
    2-ethylhexanol 0.8
    isooctanol 1.09
    dipropyl ether 1.16
    1,2-dichlorobenzene 2.96
    ethyl lactate 4.46
    propylene carbonate 10.9
    n-methylformamide 21.76
    2-pentanol 1.22
    n-pentane 0.11
    1-propoxy-2-propanol 4.83
    1-methoxy-2-propyl acetate 4.54
    2-(2-methoxypropoxy) propanol 9.61
    mesitylene 0.66
    ε-caprolactone 15.96
    p-cymene 0.62
    epichlorohydrin 20.66
    1,1,1-trichloroethane 4.08
    2-aminoethanol 5.05
    morpholine-4-carbaldehyde 60.39
    sulfolane 81.84
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 9.0
    n-hexyl acetate 3.49
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 10.83
    sec-butyl acetate 2.11
    tert-butyl acetate 3.1
    decalin 0.2
    glycerin 9.3
    diglyme 23.75
    acrylic acid 8.31
    isopropyl myristate 1.14
    n-butyric acid 6.79
    acetyl acetate 3.41
    di(2-ethylhexyl) phthalate 2.48
    ethyl propionate 2.87
    nitromethane 34.95
    1,2-diethoxyethane 3.94
    benzonitrile 3.65
    trioctyl phosphate 1.47
    1-bromopropane 1.82
    gamma-valerolactone 46.5
    n-decanol 0.96
    triethyl phosphate 2.52
    4-methyl-2-pentanol 0.75
    propionitrile 2.56
    vinylene carbonate 9.86
    1,1,2-trichlorotrifluoroethane 28.57
    DMS 4.15
    cumene 0.79
    2-octanol 0.89
    2-hexanone 4.89
    octyl acetate 1.83
    limonene 0.92
    1,2-dimethoxyethane 18.51
    ethyl orthosilicate 2.3
    tributyl phosphate 1.85
    diacetone alcohol 8.32
    N,N-dimethylaniline 4.74
    acrylonitrile 4.6
    aniline 3.35
    1,3-propanediol 5.67
    bromobenzene 1.68
    dibromomethane 4.17
    1,1,2,2-tetrachloroethane 15.32
    2-methyl-cyclohexyl acetate 3.36
    tetrabutyl urea 4.78
    diisobutyl methanol 0.49
    2-phenylethanol 2.77
    styrene 1.24
    dioctyl adipate 3.17
    dimethyl sulfate 20.93
    ethyl butyrate 2.27
    methyl lactate 8.26
    butyl lactate 5.13
    diethyl carbonate 1.67
    propanediol butyl ether 7.31
    triethyl orthoformate 2.6
    p-tert-butyltoluene 0.57
    methyl 4-tert-butylbenzoate 8.49
    morpholine 15.2
    tert-butylamine 0.97
    n-dodecanol 0.63
    dimethoxymethane 16.79
    ethylene carbonate 6.87
    cyrene 21.0
    2-ethoxyethyl acetate 5.79
    2-ethylhexyl acetate 1.52
    1,2,4-trichlorobenzene 4.72
    4-methylpyridine 7.79
    dibutyl ether 1.25
    2,6-dimethyl-4-heptanol 0.49
    DEF 14.75
    dimethyl isosorbide 17.05
    tetrachloroethylene 8.72
    eugenol 8.33
    triacetin 7.57
    span 80 6.46
    1,4-butanediol 3.44
    1,1-dichloroethane 3.42
    2-methyl-1-pentanol 2.28
    methyl formate 13.73
    2-methyl-1-butanol 2.44
    n-decane 0.12
    butyronitrile 2.15
    3,7-dimethyl-1-octanol 0.93
    1-chlorooctane 0.65
    1-chlorotetradecane 0.26
    n-nonane 0.1
    undecane 0.09
    tert-butylcyclohexane 0.12
    cyclooctane 0.11
    cyclopentanol 5.71
    tetrahydropyran 5.59
    tert-amyl methyl ether 2.23
    2,5,8-trioxanonane 18.45
    1-hexene 0.52
    2-isopropoxyethanol 6.75
    2,2,2-trifluoroethanol 9.49
    methyl butyrate 5.3

    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