9-(Sulphooxy)octadecanoic acid

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  • Identifiers

    CAS number
    102-72-7

    Molecular formula
    C18H36O6S

    SMILES
    CCCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.28%
    Fatty 34.37%
    Savory 26.47%
    Waxy 26.23%
    Meaty 22.86%
    Milky 22.06%
    Oily 22.03%
    Citrus 20.34%
    Fresh 20.21%
    Lactonic 17.36%

     

    Flavor
    Bland 32.66%
    Odorless 32.4%
    Mild 31.11%
    Fatty 29.46%
    Waxy 26.24%
    Bitter 23.34%
    Faint 23.06%
    Oily 21.46%
    Slightly waxy 21.46%
    Bay oil 21.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    5.86 (weak acid)

    Molecular weight
    380.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    487°C

    Flash point

    • 219.89 ˚C est.

  • Synonyms

    • 9-(sulfooxy)octadecanoic acid
    • 9-(Sulphooxy)octadecanoic acid
    • 9-sulfooxyoctadecanoic acid
    • 102-72-7
    • Oleic acid, sulfated, sodium salt
    • Octadecanoic acid, 9-(sulfooxy)-
    • 9(or 10)-(Sulfooxy)stearic acid
    • Sodium 9-(sulfooxy)stearate
    • 68413-72-9
    • Oleic acid, sulfated, ammonium salt
    • 68735-97-7
    • 68170-59-2
    • Octadecanoic acid, 9-(sulfooxy)-, sodium salt
    • 9(or 10)-(Sulfooxy)stearic acid ammonium salt
    • Sodium 9-(sulphooxy)octadecanoate
    • EINECS 203-050-3
    • EINECS 269-018-6
    • EINECS 270-245-8
    • EINECS 272-111-4
    • 9(Or 10)-(sulphooxy)octadecanoic acid
    • Octadecanoic acid, 9(or 10)-(sulfooxy)-
    • 9(Or 10)-(sulphooxy)octadecanoic acid, ammonium salt
    • Octadecanoic acid, 9-(sulfooxy)-, sodium salt (1:?)
    • Octadecanoic acid, 9(or 10)-(sulfooxy)-, ammonium salt
    • DTXSID50860893
    • FISKBOUWERTLRE-UHFFFAOYSA-N
    • Octadecanoic acid, 9(or 10)-(sulfooxy)-, ammonium salt (1:?)
    • NS00041499
    • 68170-59-2

  • Applications

    9-(Sulphooxy)octadecanoic acid is a sulfated fatty acid derivative related to stearic acid. In industry it is primarily used as an anionic surfactant and emulsifier in detergents, household cleaners, and personal care formulations; it can also act as an emulsifier or stabilizer in cosmetics. It also functions as a surfactant and dispersing agent in coatings and inks, aiding pigment dispersion and wetting. Additionally, it can serve as an emulsifier/dispersion aid in polymer processing and as a formulation component for polymer and plastics manufacturing. In agricultural formulations, it may act as a surfactant adjuvant to improve spray coverage by reducing surface tension. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.0
    methanol 18.56
    isopropanol 8.42
    water 0.04
    ethyl acetate 9.61
    n-propanol 10.41
    acetone 25.24
    n-butanol 9.13
    acetonitrile 4.34
    DMF 116.31
    toluene 9.98
    isobutanol 6.63
    1,4-dioxane 18.61
    methyl acetate 9.91
    THF 105.03
    2-butanone 21.48
    n-pentanol 8.95
    sec-butanol 8.72
    n-hexane 0.55
    ethylene glycol 2.61
    NMP 281.93
    cyclohexane 1.34
    DMSO 159.84
    n-butyl acetate 16.03
    n-octanol 7.8
    chloroform 32.1
    n-propyl acetate 14.0
    acetic acid 20.23
    dichloromethane 34.29
    cyclohexanone 74.12
    propylene glycol 7.38
    isopropyl acetate 12.27
    DMAc 175.07
    2-ethoxyethanol 28.0
    isopentanol 9.13
    n-heptane 0.48
    ethyl formate 9.2
    1,2-dichloroethane 28.18
    n-hexanol 7.79
    2-methoxyethanol 40.89
    isobutyl acetate 9.67
    tetrachloromethane 3.02
    n-pentyl acetate 22.38
    transcutol 111.05
    n-heptanol 8.0
    ethylbenzene 6.39
    MIBK 19.68
    2-propoxyethanol 30.95
    tert-butanol 11.76
    MTBE 8.34
    2-butoxyethanol 28.27
    propionic acid 12.88
    o-xylene 9.94
    formic acid 10.97
    diethyl ether 5.49
    m-xylene 8.58
    p-xylene 7.76
    chlorobenzene 13.53
    dimethyl carbonate 9.53
    n-octane 0.38
    formamide 23.26
    cyclopentanone 113.32
    2-pentanone 23.09
    anisole 15.98
    cyclopentyl methyl ether 31.84
    gamma-butyrolactone 91.25
    1-methoxy-2-propanol 39.17
    pyridine 34.34
    3-pentanone 16.15
    furfural 73.34
    n-dodecane 0.32
    diethylene glycol 19.47
    diisopropyl ether 2.84
    tert-amyl alcohol 13.15
    acetylacetone 41.05
    n-hexadecane 0.38
    acetophenone 31.93
    methyl propionate 13.73
    isopentyl acetate 18.34
    trichloroethylene 57.48
    n-nonanol 8.21
    cyclohexanol 14.05
    benzyl alcohol 17.64
    2-ethylhexanol 6.31
    isooctanol 7.19
    dipropyl ether 5.85
    1,2-dichlorobenzene 17.55
    ethyl lactate 13.85
    propylene carbonate 40.08
    n-methylformamide 27.27
    2-pentanol 6.08
    n-pentane 0.44
    1-propoxy-2-propanol 25.16
    1-methoxy-2-propyl acetate 30.78
    2-(2-methoxypropoxy) propanol 38.74
    mesitylene 5.75
    ε-caprolactone 61.62
    p-cymene 5.27
    epichlorohydrin 73.87
    1,1,1-trichloroethane 16.57
    2-aminoethanol 9.15
    morpholine-4-carbaldehyde 117.85
    sulfolane 247.74
    2,2,4-trimethylpentane 0.59
    2-methyltetrahydrofuran 42.63
    n-hexyl acetate 25.88
    isooctane 0.34
    2-(2-butoxyethoxy)ethanol 48.7
    sec-butyl acetate 11.04
    tert-butyl acetate 22.78
    decalin 1.28
    glycerin 15.57
    diglyme 74.48
    acrylic acid 13.43
    isopropyl myristate 9.26
    n-butyric acid 21.2
    acetyl acetate 10.16
    di(2-ethylhexyl) phthalate 14.82
    ethyl propionate 11.73
    nitromethane 37.01
    1,2-diethoxyethane 18.9
    benzonitrile 15.15
    trioctyl phosphate 9.08
    1-bromopropane 9.69
    gamma-valerolactone 145.93
    n-decanol 5.34
    triethyl phosphate 11.44
    4-methyl-2-pentanol 5.2
    propionitrile 5.06
    vinylene carbonate 29.31
    1,1,2-trichlorotrifluoroethane 67.86
    DMS 18.5
    cumene 5.12
    2-octanol 5.93
    2-hexanone 19.56
    octyl acetate 12.82
    limonene 8.42
    1,2-dimethoxyethane 40.38
    ethyl orthosilicate 10.45
    tributyl phosphate 10.99
    diacetone alcohol 42.65
    N,N-dimethylaniline 18.29
    acrylonitrile 8.48
    aniline 14.41
    1,3-propanediol 13.79
    bromobenzene 13.66
    dibromomethane 21.17
    1,1,2,2-tetrachloroethane 55.97
    2-methyl-cyclohexyl acetate 21.86
    tetrabutyl urea 23.41
    diisobutyl methanol 4.85
    2-phenylethanol 16.42
    styrene 7.58
    dioctyl adipate 21.09
    dimethyl sulfate 36.81
    ethyl butyrate 13.76
    methyl lactate 19.67
    butyl lactate 26.69
    diethyl carbonate 8.56
    propanediol butyl ether 31.77
    triethyl orthoformate 12.61
    p-tert-butyltoluene 5.15
    methyl 4-tert-butylbenzoate 43.5
    morpholine 37.41
    tert-butylamine 5.43
    n-dodecanol 3.54
    dimethoxymethane 32.65
    ethylene carbonate 21.24
    cyrene 54.88
    2-ethoxyethyl acetate 30.33
    2-ethylhexyl acetate 14.31
    1,2,4-trichlorobenzene 23.93
    4-methylpyridine 33.01
    dibutyl ether 7.3
    2,6-dimethyl-4-heptanol 4.85
    DEF 40.63
    dimethyl isosorbide 84.9
    tetrachloroethylene 30.33
    eugenol 38.31
    triacetin 37.45
    span 80 35.59
    1,4-butanediol 5.92
    1,1-dichloroethane 15.08
    2-methyl-1-pentanol 9.57
    methyl formate 14.49
    2-methyl-1-butanol 8.83
    n-decane 0.65
    butyronitrile 7.06
    3,7-dimethyl-1-octanol 7.9
    1-chlorooctane 4.41
    1-chlorotetradecane 1.56
    n-nonane 0.53
    undecane 0.44
    tert-butylcyclohexane 0.93
    cyclooctane 0.54
    cyclopentanol 21.7
    tetrahydropyran 21.09
    tert-amyl methyl ether 11.0
    2,5,8-trioxanonane 60.16
    1-hexene 2.81
    2-isopropoxyethanol 18.73
    2,2,2-trifluoroethanol 9.58
    methyl butyrate 19.76

    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