1-Propanol, 2-(octyloxy)-

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  • Identifiers

    CAS number
    100010-99-9

    Molecular formula
    C11H24O2

    SMILES
    CCCCCCCCOC(C)CO

    Safety labels

  • Odor profile

    Fragrance
    Oily 59.67%
    Fruity 58.3%
    Floral 56.68%
    Green 56.07%
    Fresh 52.51%
    Sweet 51.55%
    Citrus 49.55%
    Fatty 48.26%
    Waxy 46.78%
    Herbal 43.59%

     

    Flavor
    Green 63.52%
    Floral 53.26%
    Mushroom 50.2%
    Waxy 48.55%
    Fruity 45.99%
    Herbal 44.43%
    Fresh 42.42%
    Earthy 42.39%
    Oily 39.81%
    Fatty 38.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.58 (neutral)

    Molecular weight
    188.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 108.89 ˚C est.

  • Synonyms

    • 1-Propanol, 2-(octyloxy)-
    • 100010-99-9
    • 29117-02-0
    • 2-octyloxypropanol
    • SCHEMBL9070383
    • DTXSID00434861
    • 2-(OCTYLOXY)PROPAN-1-OL
    • 29117-02-0

  • Applications

    1-Propanol, 2-(octyloxy)- (CAS 100010-99-9) is used as a solvent and co-solvent in coatings, inks, and cleaning formulations; it serves as a precursor for fragrance compounds and nonionic surfactants; it can function as a solvent or emollient in cosmetics and personal care; it can participate in reactions with isocyanates, making it a reactive solvent or chain-terminating component in polyurethane and other polymer systems; and it also acts as a precursor to longer-alkyl ether derivatives used in surfactants and surface-active additives for various industries. Applications depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11765.49
    methanol 10836.5
    isopropanol 10708.08
    water 0.36
    ethyl acetate 7255.74
    n-propanol 10050.77
    acetone 8417.94
    n-butanol 9275.89
    acetonitrile 4903.05
    DMF 2723.95
    toluene 1140.55
    isobutanol 6807.35
    1,4-dioxane 7433.06
    methyl acetate 3859.65
    THF 10056.51
    2-butanone 5401.38
    n-pentanol 5333.62
    sec-butanol 7687.98
    n-hexane 2122.09
    ethylene glycol 684.39
    NMP 1573.84
    cyclohexane 3012.66
    DMSO 6865.55
    n-butyl acetate 5857.68
    n-octanol 1442.34
    chloroform 7136.39
    n-propyl acetate 4862.53
    acetic acid 3824.52
    dichloromethane 7066.93
    cyclohexanone 6617.51
    propylene glycol 1411.39
    isopropyl acetate 4088.58
    DMAc 1659.59
    2-ethoxyethanol 4866.49
    isopentanol 6906.38
    n-heptane 1242.37
    ethyl formate 3094.77
    1,2-dichloroethane 5393.1
    n-hexanol 4947.69
    2-methoxyethanol 7300.39
    isobutyl acetate 2313.35
    tetrachloromethane 1589.86
    n-pentyl acetate 2540.22
    transcutol 9045.96
    n-heptanol 1633.44
    ethylbenzene 695.99
    MIBK 2711.34
    2-propoxyethanol 4892.01
    tert-butanol 10507.37
    MTBE 7729.66
    2-butoxyethanol 2417.37
    propionic acid 3170.74
    o-xylene 682.83
    formic acid 684.37
    diethyl ether 10435.18
    m-xylene 755.46
    p-xylene 894.17
    chlorobenzene 1654.48
    dimethyl carbonate 437.22
    n-octane 322.37
    formamide 1008.38
    cyclopentanone 4593.51
    2-pentanone 5712.34
    anisole 1296.76
    cyclopentyl methyl ether 4958.75
    gamma-butyrolactone 3878.41
    1-methoxy-2-propanol 5149.07
    pyridine 4133.23
    3-pentanone 2821.97
    furfural 2560.15
    n-dodecane 136.83
    diethylene glycol 2211.56
    diisopropyl ether 2274.79
    tert-amyl alcohol 6525.04
    acetylacetone 3294.28
    n-hexadecane 158.14
    acetophenone 1087.0
    methyl propionate 2839.48
    isopentyl acetate 4009.24
    trichloroethylene 6423.08
    n-nonanol 1144.02
    cyclohexanol 6057.23
    benzyl alcohol 1245.55
    2-ethylhexanol 2959.74
    isooctanol 1354.65
    dipropyl ether 5178.93
    1,2-dichlorobenzene 1304.73
    ethyl lactate 1032.81
    propylene carbonate 2203.92
    n-methylformamide 2034.92
    2-pentanol 6295.25
    n-pentane 1635.51
    1-propoxy-2-propanol 4524.34
    1-methoxy-2-propyl acetate 2667.63
    2-(2-methoxypropoxy) propanol 1125.68
    mesitylene 525.12
    ε-caprolactone 5055.44
    p-cymene 594.84
    epichlorohydrin 5456.06
    1,1,1-trichloroethane 4593.72
    2-aminoethanol 2299.7
    morpholine-4-carbaldehyde 2793.59
    sulfolane 3364.35
    2,2,4-trimethylpentane 448.13
    2-methyltetrahydrofuran 8545.42
    n-hexyl acetate 2520.94
    isooctane 372.84
    2-(2-butoxyethoxy)ethanol 2046.32
    sec-butyl acetate 2827.22
    tert-butyl acetate 3474.94
    decalin 552.64
    glycerin 1207.21
    diglyme 4323.42
    acrylic acid 1567.07
    isopropyl myristate 691.97
    n-butyric acid 7481.24
    acetyl acetate 2329.26
    di(2-ethylhexyl) phthalate 449.82
    ethyl propionate 2980.78
    nitromethane 4669.03
    1,2-diethoxyethane 5547.7
    benzonitrile 1764.75
    trioctyl phosphate 427.24
    1-bromopropane 5521.35
    gamma-valerolactone 5517.84
    n-decanol 714.05
    triethyl phosphate 781.25
    4-methyl-2-pentanol 2413.46
    propionitrile 4617.82
    vinylene carbonate 1697.2
    1,1,2-trichlorotrifluoroethane 3115.31
    DMS 924.98
    cumene 476.7
    2-octanol 1117.26
    2-hexanone 4291.53
    octyl acetate 806.37
    limonene 1380.94
    1,2-dimethoxyethane 7766.63
    ethyl orthosilicate 936.43
    tributyl phosphate 610.37
    diacetone alcohol 2855.51
    N,N-dimethylaniline 679.57
    acrylonitrile 3212.1
    aniline 1795.15
    1,3-propanediol 4205.72
    bromobenzene 1718.78
    dibromomethane 5954.73
    1,1,2,2-tetrachloroethane 5500.08
    2-methyl-cyclohexyl acetate 1530.04
    tetrabutyl urea 670.0
    diisobutyl methanol 1506.98
    2-phenylethanol 1301.54
    styrene 996.67
    dioctyl adipate 910.78
    dimethyl sulfate 588.72
    ethyl butyrate 3658.36
    methyl lactate 868.76
    butyl lactate 1447.84
    diethyl carbonate 1550.48
    propanediol butyl ether 1608.8
    triethyl orthoformate 2170.97
    p-tert-butyltoluene 575.53
    methyl 4-tert-butylbenzoate 784.91
    morpholine 10084.89
    tert-butylamine 7257.27
    n-dodecanol 508.25
    dimethoxymethane 2853.39
    ethylene carbonate 2035.87
    cyrene 755.07
    2-ethoxyethyl acetate 2377.65
    2-ethylhexyl acetate 2853.05
    1,2,4-trichlorobenzene 1321.83
    4-methylpyridine 3449.12
    dibutyl ether 3530.94
    2,6-dimethyl-4-heptanol 1506.98
    DEF 3882.13
    dimethyl isosorbide 1644.21
    tetrachloroethylene 4194.4
    eugenol 746.69
    triacetin 1334.92
    span 80 1265.52
    1,4-butanediol 1483.72
    1,1-dichloroethane 6193.15
    2-methyl-1-pentanol 3584.29
    methyl formate 1207.05
    2-methyl-1-butanol 5495.41
    n-decane 315.68
    butyronitrile 6653.45
    3,7-dimethyl-1-octanol 1457.09
    1-chlorooctane 1066.52
    1-chlorotetradecane 288.1
    n-nonane 376.81
    undecane 194.51
    tert-butylcyclohexane 511.2
    cyclooctane 629.52
    cyclopentanol 5072.94
    tetrahydropyran 12797.55
    tert-amyl methyl ether 3830.1
    2,5,8-trioxanonane 2005.15
    1-hexene 5146.7
    2-isopropoxyethanol 3310.62
    2,2,2-trifluoroethanol 705.03
    methyl butyrate 4584.21

    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