Dioleoylisopropyl dimonium methosulfate

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  • Identifiers

    CAS number
    112065-30-2

    Molecular formula
    C45H87NO8S

    SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](C[N+](C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)C)(C)C)C.COS(=O)(=O)[O-]

    Safety labels

  • Odor profile

    Fragrance
    Fatty 60.71%
    Waxy 60.63%
    Oily 54.21%
    Floral 26.48%
    Odorless 26.03%
    Fruity 25.57%
    Sweet 25.03%
    Creamy 23.77%
    Milky 22.16%
    Woody 21.64%

     

    Flavor
    Bland 32.87%
    Faint 30.0%
    Mild 29.14%
    Waxy 25.57%
    Oily 24.59%
    Fatty 22.67%
    Slightly waxy 22.17%
    Delicate 21.74%
    Bay oil 20.38%
    Beer 20.18%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.09 (weak base)

    Molecular weight
    802.2 g/mol

    Flash point

    • 85.54 ˚C est.

  • Synonyms

    • Dioleoylisopropyl dimonium methosulfate
    • UNII-YOI7EU4P4G
    • YOI7EU4P4G
    • Dioleoylisopropyl dimonium methosulfate [INCI]
    • 112065-30-2
    • 1-Propanaminium, N,N-dimethyl-2-((1-oxo-9-octadecenyl)oxy)-N-(2-((1-oxo-9-octadecenyl)oxy)propyl)-, (Z,Z)-, methyl sulfate
    • RefChem:134512
    • SCHEMBL29449493
    • CECUQQKWMXGFQV-FMDBRRIVSA-M
    • DTXSID201021239
    • Q27294629
    • 112065-30-2

  • Applications

    Dioleoylisopropyl dimonium methosulfate (CAS 112065-30-2) is a cationic surfactant bearing two long oleoyl chains and a methosulfate counterion, commonly used as a surfactant and conditioning agent in cosmetics and personal care. In practice, its main applications include acting as an emulsifier and wetting agent in cosmetics and hair care formulations; functioning as a surfactant and emulsifier in household cleaning products; serving as an emulsifier and pigment-dispersion stabilizer in coatings, varnishes, and inks; acting as an emulsion stabilizer and processing aid in polymer and plastics processing; and may be evaluated as an adjuvant in agricultural formulations to improve spray coverage and uptake.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.84
    methanol 65.92
    isopropanol 34.11
    water 0.98
    ethyl acetate 261.13
    n-propanol 69.53
    acetone 174.19
    n-butanol 59.66
    acetonitrile 65.29
    DMF 214.4
    toluene 174.15
    isobutanol 59.15
    1,4-dioxane 235.77
    methyl acetate 165.48
    THF 518.7
    2-butanone 213.91
    n-pentanol 60.37
    sec-butanol 66.3
    n-hexane 32.5
    ethylene glycol 6.18
    NMP 1064.41
    cyclohexane 83.21
    DMSO 188.17
    n-butyl acetate 163.48
    n-octanol 61.99
    chloroform 846.5
    n-propyl acetate 199.39
    acetic acid 219.0
    dichloromethane 873.27
    cyclohexanone 580.23
    propylene glycol 14.61
    isopropyl acetate 193.24
    DMAc 565.43
    2-ethoxyethanol 115.07
    isopentanol 55.97
    n-heptane 23.72
    ethyl formate 117.2
    1,2-dichloroethane 447.46
    n-hexanol 46.65
    2-methoxyethanol 111.29
    isobutyl acetate 137.96
    tetrachloromethane 201.63
    n-pentyl acetate 306.44
    transcutol 434.39
    n-heptanol 65.33
    ethylbenzene 94.22
    MIBK 141.76
    2-propoxyethanol 120.3
    tert-butanol 46.1
    MTBE 104.33
    2-butoxyethanol 164.29
    propionic acid 138.71
    o-xylene 132.62
    formic acid 66.03
    diethyl ether 125.68
    m-xylene 113.31
    p-xylene 130.77
    chlorobenzene 258.12
    dimethyl carbonate 118.58
    n-octane 12.93
    formamide 89.38
    cyclopentanone 608.27
    2-pentanone 199.85
    anisole 133.43
    cyclopentyl methyl ether 382.59
    gamma-butyrolactone 704.11
    1-methoxy-2-propanol 109.37
    pyridine 336.6
    3-pentanone 241.27
    furfural 446.37
    n-dodecane 6.6
    diethylene glycol 47.85
    diisopropyl ether 56.77
    tert-amyl alcohol 84.52
    acetylacetone 286.19
    n-hexadecane 7.79
    acetophenone 211.68
    methyl propionate 235.92
    isopentyl acetate 151.42
    trichloroethylene 923.84
    n-nonanol 66.66
    cyclohexanol 155.8
    benzyl alcohol 98.41
    2-ethylhexanol 55.31
    isooctanol 67.44
    dipropyl ether 113.28
    1,2-dichlorobenzene 296.63
    ethyl lactate 86.96
    propylene carbonate 365.65
    n-methylformamide 115.98
    2-pentanol 52.21
    n-pentane 24.47
    1-propoxy-2-propanol 114.09
    1-methoxy-2-propyl acetate 199.29
    2-(2-methoxypropoxy) propanol 126.89
    mesitylene 74.84
    ε-caprolactone 625.36
    p-cymene 59.21
    epichlorohydrin 598.21
    1,1,1-trichloroethane 546.5
    2-aminoethanol 24.95
    morpholine-4-carbaldehyde 448.49
    sulfolane 908.28
    2,2,4-trimethylpentane 23.91
    2-methyltetrahydrofuran 430.9
    n-hexyl acetate 266.8
    isooctane 9.23
    2-(2-butoxyethoxy)ethanol 162.1
    sec-butyl acetate 159.98
    tert-butyl acetate 220.28
    decalin 39.29
    glycerin 27.97
    diglyme 365.01
    acrylic acid 128.69
    isopropyl myristate 75.72
    n-butyric acid 216.56
    acetyl acetate 198.21
    di(2-ethylhexyl) phthalate 87.42
    ethyl propionate 197.51
    nitromethane 306.48
    1,2-diethoxyethane 194.21
    benzonitrile 115.64
    trioctyl phosphate 62.74
    1-bromopropane 243.8
    gamma-valerolactone 741.99
    n-decanol 40.53
    triethyl phosphate 112.65
    4-methyl-2-pentanol 37.75
    propionitrile 73.51
    vinylene carbonate 347.41
    1,1,2-trichlorotrifluoroethane 426.55
    DMS 193.55
    cumene 65.19
    2-octanol 55.14
    2-hexanone 174.39
    octyl acetate 110.59
    limonene 97.79
    1,2-dimethoxyethane 189.48
    ethyl orthosilicate 109.2
    tributyl phosphate 77.09
    diacetone alcohol 165.65
    N,N-dimethylaniline 117.38
    acrylonitrile 87.7
    aniline 136.92
    1,3-propanediol 39.73
    bromobenzene 308.37
    dibromomethane 516.74
    1,1,2,2-tetrachloroethane 778.08
    2-methyl-cyclohexyl acetate 173.72
    tetrabutyl urea 113.03
    diisobutyl methanol 34.97
    2-phenylethanol 82.47
    styrene 105.93
    dioctyl adipate 138.83
    dimethyl sulfate 246.6
    ethyl butyrate 177.19
    methyl lactate 99.26
    butyl lactate 181.11
    diethyl carbonate 105.09
    propanediol butyl ether 105.45
    triethyl orthoformate 150.26
    p-tert-butyltoluene 55.81
    methyl 4-tert-butylbenzoate 247.79
    morpholine 297.58
    tert-butylamine 36.43
    n-dodecanol 26.68
    dimethoxymethane 182.13
    ethylene carbonate 288.73
    cyrene 200.24
    2-ethoxyethyl acetate 370.12
    2-ethylhexyl acetate 153.84
    1,2,4-trichlorobenzene 375.04
    4-methylpyridine 303.96
    dibutyl ether 109.74
    2,6-dimethyl-4-heptanol 34.97
    DEF 297.07
    dimethyl isosorbide 304.66
    tetrachloroethylene 587.66
    eugenol 158.44
    triacetin 352.52
    span 80 144.25
    1,4-butanediol 22.18
    1,1-dichloroethane 392.85
    2-methyl-1-pentanol 69.95
    methyl formate 101.07
    2-methyl-1-butanol 76.65
    n-decane 15.93
    butyronitrile 71.59
    3,7-dimethyl-1-octanol 57.79
    1-chlorooctane 73.87
    1-chlorotetradecane 21.73
    n-nonane 15.18
    undecane 9.47
    tert-butylcyclohexane 27.89
    cyclooctane 32.32
    cyclopentanol 152.12
    tetrahydropyran 330.28
    tert-amyl methyl ether 147.11
    2,5,8-trioxanonane 196.62
    1-hexene 72.42
    2-isopropoxyethanol 99.38
    2,2,2-trifluoroethanol 119.43
    methyl butyrate 235.91

    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