10-Doxylstearic acid

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  • Identifiers

    CAS number
    50613-98-4

    Molecular formula
    C22H42NO4

    SMILES
    CCCCCCCCC1(N(C(CO1)(C)C)[O])CCCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 37.47%
    Waxy 36.67%
    Oily 29.26%
    Woody 29.17%
    Fatty 28.62%
    Fresh 27.1%
    Animal 27.1%
    Citrus 24.28%
    Cooling 24.2%
    Milky 23.67%

     

    Flavor
    Mild 33.48%
    Bland 32.12%
    Odorless 28.58%
    Fatty 27.62%
    Waxy 22.74%
    Slightly waxy 22.39%
    Oily 22.32%
    Bay oil 21.86%
    Beer 21.08%
    Cultured dairy 21.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.71 (neutral)

    Molecular weight
    384.6 g/mol

    Flash point

    • 217.82 ˚C est.

  • Synonyms

    • 10-Doxylstearic acid
    • 50613-98-4
    • RefChem:77473
    • 10-Doxylstearate
    • 2-(8-carboxyoctyl)-4,4-dimethyl-2-octyl-3-oxazolidinyloxy
    • 3-Oxazolidinyloxy, 2-(8-carboxyoctyl)-4,4-dimethyl-2-octyl-
    • DTXSID80964853
    • [2-(8-Carboxyoctyl)-4,4-dimethyl-2-octyl-1,3-oxazolidin-3-yl]oxidanyl
    • 9-(3-$l^{1}
    • 50613-98-4

  • Applications

    10-Doxylstearic acid (CAS 50613-98-4) is primarily used as a nitroxide spin label for electron paramagnetic resonance (EPR) spectroscopy in research settings. It serves as a probe to study lipid membranes and model bilayers, enabling measurements of local order, mobility, and phase behavior in systems such as liposomes and micellar suspensions. It is also used as a spin probe in polymer science to evaluate chain dynamics, segmental mobility, and diffusion within polymer matrices. In analytical EPR workflows, it functions as a stable radical probe to validate instrumentation and experimental methods. Its applications are mainly within laboratory research across academia and industry, and its use is subject to applicable regulations and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 426.04
    methanol 419.67
    isopropanol 360.94
    water 0.65
    ethyl acetate 746.92
    n-propanol 434.03
    acetone 606.69
    n-butanol 401.46
    acetonitrile 235.32
    DMF 906.45
    toluene 255.59
    isobutanol 368.33
    1,4-dioxane 628.83
    methyl acetate 459.95
    THF 1409.45
    2-butanone 680.71
    n-pentanol 323.37
    sec-butanol 438.96
    n-hexane 28.38
    ethylene glycol 29.75
    NMP 1288.8
    cyclohexane 83.5
    DMSO 741.51
    n-butyl acetate 556.13
    n-octanol 185.76
    chloroform 1335.75
    n-propyl acetate 646.15
    acetic acid 451.38
    dichloromethane 1362.54
    cyclohexanone 1375.38
    propylene glycol 77.37
    isopropyl acetate 674.57
    DMAc 1333.4
    2-ethoxyethanol 536.85
    isopentanol 395.06
    n-heptane 14.44
    ethyl formate 381.19
    1,2-dichloroethane 910.2
    n-hexanol 226.37
    2-methoxyethanol 576.33
    isobutyl acetate 458.65
    tetrachloromethane 236.31
    n-pentyl acetate 729.82
    transcutol 1428.29
    n-heptanol 195.33
    ethylbenzene 157.1
    MIBK 540.52
    2-propoxyethanol 489.2
    tert-butanol 382.41
    MTBE 513.03
    2-butoxyethanol 495.37
    propionic acid 377.64
    o-xylene 207.61
    formic acid 160.98
    diethyl ether 412.87
    m-xylene 186.13
    p-xylene 222.07
    chlorobenzene 410.97
    dimethyl carbonate 210.75
    n-octane 11.01
    formamide 264.34
    cyclopentanone 1262.55
    2-pentanone 731.11
    anisole 321.69
    cyclopentyl methyl ether 673.27
    gamma-butyrolactone 1272.87
    1-methoxy-2-propanol 556.39
    pyridine 645.47
    3-pentanone 529.36
    furfural 860.35
    n-dodecane 8.55
    diethylene glycol 228.61
    diisopropyl ether 152.1
    tert-amyl alcohol 460.05
    acetylacetone 759.47
    n-hexadecane 10.35
    acetophenone 458.84
    methyl propionate 538.05
    isopentyl acetate 572.99
    trichloroethylene 1418.79
    n-nonanol 172.3
    cyclohexanol 505.7
    benzyl alcohol 300.13
    2-ethylhexanol 164.04
    isooctanol 181.73
    dipropyl ether 196.07
    1,2-dichlorobenzene 440.97
    ethyl lactate 249.01
    propylene carbonate 784.11
    n-methylformamide 427.58
    2-pentanol 317.25
    n-pentane 26.47
    1-propoxy-2-propanol 371.07
    1-methoxy-2-propyl acetate 545.99
    2-(2-methoxypropoxy) propanol 350.17
    mesitylene 125.04
    ε-caprolactone 1390.52
    p-cymene 98.28
    epichlorohydrin 1274.7
    1,1,1-trichloroethane 799.98
    2-aminoethanol 141.1
    morpholine-4-carbaldehyde 1083.13
    sulfolane 1441.03
    2,2,4-trimethylpentane 29.97
    2-methyltetrahydrofuran 994.66
    n-hexyl acetate 657.44
    isooctane 15.2
    2-(2-butoxyethoxy)ethanol 501.9
    sec-butyl acetate 501.16
    tert-butyl acetate 623.09
    decalin 43.7
    glycerin 119.47
    diglyme 1043.4
    acrylic acid 262.65
    isopropyl myristate 178.1
    n-butyric acid 794.5
    acetyl acetate 429.76
    di(2-ethylhexyl) phthalate 184.49
    ethyl propionate 513.51
    nitromethane 749.69
    1,2-diethoxyethane 537.56
    benzonitrile 366.79
    trioctyl phosphate 131.14
    1-bromopropane 511.43
    gamma-valerolactone 1757.09
    n-decanol 105.28
    triethyl phosphate 195.26
    4-methyl-2-pentanol 197.38
    propionitrile 299.57
    vinylene carbonate 631.66
    1,1,2-trichlorotrifluoroethane 816.59
    DMS 390.29
    cumene 116.49
    2-octanol 166.55
    2-hexanone 514.84
    octyl acetate 246.31
    limonene 168.71
    1,2-dimethoxyethane 806.94
    ethyl orthosilicate 190.81
    tributyl phosphate 173.36
    diacetone alcohol 545.95
    N,N-dimethylaniline 224.64
    acrylonitrile 290.68
    aniline 288.66
    1,3-propanediol 261.96
    bromobenzene 438.21
    dibromomethane 833.38
    1,1,2,2-tetrachloroethane 1279.91
    2-methyl-cyclohexyl acetate 348.98
    tetrabutyl urea 229.58
    diisobutyl methanol 96.37
    2-phenylethanol 256.7
    styrene 188.21
    dioctyl adipate 282.09
    dimethyl sulfate 401.01
    ethyl butyrate 415.84
    methyl lactate 257.83
    butyl lactate 448.13
    diethyl carbonate 247.07
    propanediol butyl ether 370.79
    triethyl orthoformate 282.19
    p-tert-butyltoluene 85.94
    methyl 4-tert-butylbenzoate 419.13
    morpholine 947.62
    tert-butylamine 226.86
    n-dodecanol 69.44
    dimethoxymethane 612.96
    ethylene carbonate 640.16
    cyrene 364.4
    2-ethoxyethyl acetate 793.85
    2-ethylhexyl acetate 450.08
    1,2,4-trichlorobenzene 530.37
    4-methylpyridine 690.19
    dibutyl ether 250.07
    2,6-dimethyl-4-heptanol 96.37
    DEF 878.45
    dimethyl isosorbide 596.48
    tetrachloroethylene 826.02
    eugenol 348.43
    triacetin 598.65
    span 80 306.58
    1,4-butanediol 135.65
    1,1-dichloroethane 791.71
    2-methyl-1-pentanol 334.23
    methyl formate 265.57
    2-methyl-1-butanol 413.54
    n-decane 19.47
    butyronitrile 402.33
    3,7-dimethyl-1-octanol 175.98
    1-chlorooctane 135.62
    1-chlorotetradecane 36.93
    n-nonane 17.45
    undecane 12.06
    tert-butylcyclohexane 31.57
    cyclooctane 21.46
    cyclopentanol 492.15
    tetrahydropyran 912.45
    tert-amyl methyl ether 438.79
    2,5,8-trioxanonane 538.15
    1-hexene 147.09
    2-isopropoxyethanol 424.74
    2,2,2-trifluoroethanol 244.32
    methyl butyrate 747.41

    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