3-[(Z)-octadec-9-enoxy]propan-1-ol

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  • Identifiers

    CAS number
    52581-71-2

    Molecular formula
    C21H42O2

    SMILES
    CCCCCCCC/C=C\CCCCCCCCOCCCO

    Safety labels

  • Odor profile

    Fragrance
    Fatty 57.97%
    Waxy 57.11%
    Fruity 56.78%
    Oily 50.98%
    Fresh 35.68%
    Citrus 34.54%
    Floral 34.46%
    Clean 30.74%
    Sweet 30.66%
    Rose 28.01%

     

    Flavor
    Waxy 58.6%
    Floral 36.58%
    Fatty 34.44%
    Soapy 31.22%
    Rose 30.54%
    Fresh 29.54%
    Clean 29.22%
    Mild 28.12%
    Oily 27.18%
    Wax 26.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.7

    pKa est.
    6.79 (neutral)

    Molecular weight
    326.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    395°C

    Flash point

    • 188.47 ˚C est.

  • Synonyms

    • 3-[(Z)-octadec-9-enoxy]propan-1-ol
    • 52581-71-2
    • SCHEMBL6265861
    • DTXSID50276011
    • 3-[(9Z)-9-Octadecen-1-yloxy]-1-propanol
    • 3-{[(9Z)-Octadec-9-en-1-yl]oxy}propan-1-ol
    • 52581-71-2

  • Applications

    3-[(Z)-octadec-9-enoxy]propan-1-ol (CAS 52581-71-2) is used primarily as a nonionic surfactant and emollient, with a long hydrophobic octadec-9-enyl tail and a hydroxypropyl head, making it suitable for cosmetics and personal care formulations as an emulsifier, solubilizer, or skin-conditioning agent. In coatings and inks, it acts as a wetting and leveling additive, improving substrate wetting and dispersion of pigments. In polymer and plastics processing, it can function as a processing aid or compatibilizer, helping to blend hydrophobic and hydrophilic components or stabilize emulsions during polymerization. In cleaning formulations, it serves as a surfactant component, aiding soil removal and foaming. It may also be used as an intermediate for synthesizing more complex surfactants or functional materials in industrial manufacturing, subject to formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 122.18
    methanol 91.46
    isopropanol 143.17
    water 0.02
    ethyl acetate 417.92
    n-propanol 156.6
    acetone 261.25
    n-butanol 219.99
    acetonitrile 74.64
    DMF 173.2
    toluene 125.87
    isobutanol 154.77
    1,4-dioxane 502.24
    methyl acetate 193.48
    THF 1065.51
    2-butanone 311.38
    n-pentanol 153.97
    sec-butanol 194.28
    n-hexane 98.29
    ethylene glycol 6.3
    NMP 362.48
    cyclohexane 529.14
    DMSO 579.74
    n-butyl acetate 508.36
    n-octanol 155.29
    chloroform 795.46
    n-propyl acetate 507.5
    acetic acid 108.59
    dichloromethane 797.22
    cyclohexanone 828.94
    propylene glycol 23.11
    isopropyl acetate 409.99
    DMAc 352.14
    2-ethoxyethanol 270.27
    isopentanol 283.65
    n-heptane 165.37
    ethyl formate 133.94
    1,2-dichloroethane 634.51
    n-hexanol 160.21
    2-methoxyethanol 248.92
    isobutyl acetate 342.26
    tetrachloromethane 250.36
    n-pentyl acetate 576.52
    transcutol 1392.28
    n-heptanol 151.15
    ethylbenzene 118.38
    MIBK 406.1
    2-propoxyethanol 273.03
    tert-butanol 292.79
    MTBE 440.22
    2-butoxyethanol 317.06
    propionic acid 108.67
    o-xylene 130.4
    formic acid 15.18
    diethyl ether 465.62
    m-xylene 113.9
    p-xylene 152.56
    chlorobenzene 188.55
    dimethyl carbonate 59.58
    n-octane 54.49
    formamide 29.23
    cyclopentanone 632.39
    2-pentanone 433.68
    anisole 214.96
    cyclopentyl methyl ether 667.81
    gamma-butyrolactone 491.9
    1-methoxy-2-propanol 277.18
    pyridine 300.94
    3-pentanone 314.6
    furfural 313.44
    n-dodecane 23.3
    diethylene glycol 93.47
    diisopropyl ether 220.45
    tert-amyl alcohol 296.75
    acetylacetone 403.85
    n-hexadecane 28.65
    acetophenone 246.81
    methyl propionate 235.7
    isopentyl acetate 489.49
    trichloroethylene 818.76
    n-nonanol 155.6
    cyclohexanol 410.51
    benzyl alcohol 121.25
    2-ethylhexanol 222.06
    isooctanol 177.09
    dipropyl ether 608.71
    1,2-dichlorobenzene 232.42
    ethyl lactate 143.31
    propylene carbonate 314.86
    n-methylformamide 61.48
    2-pentanol 206.87
    n-pentane 77.57
    1-propoxy-2-propanol 370.38
    1-methoxy-2-propyl acetate 398.19
    2-(2-methoxypropoxy) propanol 252.45
    mesitylene 108.47
    ε-caprolactone 693.3
    p-cymene 135.73
    epichlorohydrin 684.8
    1,1,1-trichloroethane 680.18
    2-aminoethanol 31.0
    morpholine-4-carbaldehyde 379.84
    sulfolane 781.34
    2,2,4-trimethylpentane 68.89
    2-methyltetrahydrofuran 845.85
    n-hexyl acetate 518.52
    isooctane 43.19
    2-(2-butoxyethoxy)ethanol 379.02
    sec-butyl acetate 415.43
    tert-butyl acetate 588.62
    decalin 117.49
    glycerin 40.28
    diglyme 941.38
    acrylic acid 56.08
    isopropyl myristate 180.16
    n-butyric acid 368.98
    acetyl acetate 230.07
    di(2-ethylhexyl) phthalate 118.06
    ethyl propionate 395.54
    nitromethane 210.3
    1,2-diethoxyethane 746.55
    benzonitrile 148.9
    trioctyl phosphate 101.67
    1-bromopropane 481.43
    gamma-valerolactone 726.09
    n-decanol 97.94
    triethyl phosphate 238.15
    4-methyl-2-pentanol 166.84
    propionitrile 117.28
    vinylene carbonate 203.74
    1,1,2-trichlorotrifluoroethane 405.37
    DMS 183.62
    cumene 100.83
    2-octanol 136.02
    2-hexanone 400.98
    octyl acetate 203.03
    limonene 285.11
    1,2-dimethoxyethane 660.4
    ethyl orthosilicate 270.47
    tributyl phosphate 137.49
    diacetone alcohol 436.92
    N,N-dimethylaniline 167.58
    acrylonitrile 82.9
    aniline 121.51
    1,3-propanediol 95.51
    bromobenzene 232.55
    dibromomethane 608.29
    1,1,2,2-tetrachloroethane 929.15
    2-methyl-cyclohexyl acetate 397.54
    tetrabutyl urea 197.52
    diisobutyl methanol 199.28
    2-phenylethanol 130.73
    styrene 124.09
    dioctyl adipate 276.33
    dimethyl sulfate 132.01
    ethyl butyrate 557.46
    methyl lactate 83.0
    butyl lactate 311.5
    diethyl carbonate 269.89
    propanediol butyl ether 209.47
    triethyl orthoformate 457.74
    p-tert-butyltoluene 123.74
    methyl 4-tert-butylbenzoate 310.17
    morpholine 678.87
    tert-butylamine 229.29
    n-dodecanol 69.01
    dimethoxymethane 253.6
    ethylene carbonate 239.73
    cyrene 218.0
    2-ethoxyethyl acetate 511.97
    2-ethylhexyl acetate 425.5
    1,2,4-trichlorobenzene 265.13
    4-methylpyridine 285.22
    dibutyl ether 525.95
    2,6-dimethyl-4-heptanol 199.28
    DEF 418.84
    dimethyl isosorbide 501.29
    tetrachloroethylene 595.81
    eugenol 209.91
    triacetin 441.11
    span 80 251.65
    1,4-butanediol 36.84
    1,1-dichloroethane 495.34
    2-methyl-1-pentanol 196.48
    methyl formate 45.46
    2-methyl-1-butanol 229.47
    n-decane 59.69
    butyronitrile 199.75
    3,7-dimethyl-1-octanol 195.96
    1-chlorooctane 197.34
    1-chlorotetradecane 59.79
    n-nonane 63.81
    undecane 34.62
    tert-butylcyclohexane 84.74
    cyclooctane 131.87
    cyclopentanol 287.0
    tetrahydropyran 1064.85
    tert-amyl methyl ether 390.07
    2,5,8-trioxanonane 497.44
    1-hexene 171.72
    2-isopropoxyethanol 254.65
    2,2,2-trifluoroethanol 40.89
    methyl butyrate 530.23

    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