1-[(Propan-2-yl)oxy]heptane

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  • Identifiers

    CAS number
    86724-25-6

    Molecular formula
    C10H22O

    SMILES
    CCCCCCCOC(C)C

  • Odor profile

    Fragrance
    Green 89.17%
    Floral 62.88%
    Fruity 62.74%
    Herbal 59.85%
    Fresh 53.61%
    Sweet 50.79%
    Citrus 49.6%
    Fatty 49.34%
    Oily 45.41%
    Vegetable 40.21%

     

    Flavor
    Green 57.75%
    Fruity 48.21%
    Herbal 47.66%
    Floral 44.72%
    Fresh 40.54%
    Citrus 37.74%
    Mushroom 37.44%
    Earthy 34.88%
    Waxy 32.97%
    Sweet 32.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.44 (weak base)

    Molecular weight
    158.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    177°C

    Flash point

    • 49.71 ˚C est.

  • Synonyms

    • heptyl 1-methylethyl ether
    • 1-[(Propan-2-yl)oxy]heptane
    • 86724-25-6
    • SCHEMBL1101719
    • DTXSID60511142

  • Applications

    1-[(Propan-2-yl)oxy]heptane, also known as isopropyl heptyl ether, is used primarily as a nonpolar solvent and processing aid in coatings, inks, and adhesive formulations. In industrial manufacturing, it is commonly employed as a solvent or reaction medium for organic synthesis. In cosmetics and personal care, it may serve as a solvent or carrier for active ingredients, aiding solubility and distribution. It is also used in cleaning and degreasing formulations in both industrial and household contexts as a low-polarity solvent and diluent. Additionally, it can function as a solvent or diluent in polymer and plastics processing formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8301.87
    methanol 5110.17
    isopropanol 8389.07
    water 0.24
    ethyl acetate 8133.54
    n-propanol 8089.0
    acetone 7547.36
    n-butanol 9433.54
    acetonitrile 4486.38
    DMF 2750.73
    toluene 4404.1
    isobutanol 6494.54
    1,4-dioxane 10896.17
    methyl acetate 5296.52
    THF 14637.01
    2-butanone 7503.1
    n-pentanol 6712.71
    sec-butanol 8814.7
    n-hexane 14472.82
    ethylene glycol 544.54
    NMP 3189.16
    cyclohexane 14257.42
    DMSO 4800.86
    n-butyl acetate 11776.61
    n-octanol 3848.66
    chloroform 15456.57
    n-propyl acetate 6016.13
    acetic acid 3396.73
    dichloromethane 12015.25
    cyclohexanone 11046.66
    propylene glycol 1344.49
    isopropyl acetate 5810.58
    DMAc 2764.67
    2-ethoxyethanol 4519.15
    isopentanol 8533.2
    n-heptane 10082.67
    ethyl formate 3027.48
    1,2-dichloroethane 7935.48
    n-hexanol 11731.52
    2-methoxyethanol 5596.4
    isobutyl acetate 3642.03
    tetrachloromethane 4776.79
    n-pentyl acetate 5104.03
    transcutol 12657.35
    n-heptanol 3440.06
    ethylbenzene 2529.31
    MIBK 4098.34
    2-propoxyethanol 8374.81
    tert-butanol 11295.89
    MTBE 13921.56
    2-butoxyethanol 3699.54
    propionic acid 3889.28
    o-xylene 2474.04
    formic acid 451.85
    diethyl ether 15847.26
    m-xylene 2540.71
    p-xylene 3213.03
    chlorobenzene 4083.48
    dimethyl carbonate 674.86
    n-octane 2235.97
    formamide 566.52
    cyclopentanone 6932.34
    2-pentanone 7097.87
    anisole 2963.68
    cyclopentyl methyl ether 10794.92
    gamma-butyrolactone 5305.08
    1-methoxy-2-propanol 5074.25
    pyridine 7341.17
    3-pentanone 4961.45
    furfural 3503.81
    n-dodecane 924.9
    diethylene glycol 2704.54
    diisopropyl ether 5584.4
    tert-amyl alcohol 9914.45
    acetylacetone 4228.23
    n-hexadecane 1067.94
    acetophenone 2078.04
    methyl propionate 3875.7
    isopentyl acetate 8465.7
    trichloroethylene 9990.84
    n-nonanol 3253.2
    cyclohexanol 10121.65
    benzyl alcohol 2105.81
    2-ethylhexanol 8710.43
    isooctanol 2924.73
    dipropyl ether 15156.15
    1,2-dichlorobenzene 3216.09
    ethyl lactate 1394.15
    propylene carbonate 3285.4
    n-methylformamide 1529.72
    2-pentanol 8055.36
    n-pentane 8241.62
    1-propoxy-2-propanol 8394.17
    1-methoxy-2-propyl acetate 5094.58
    2-(2-methoxypropoxy) propanol 2334.66
    mesitylene 1720.1
    ε-caprolactone 8198.22
    p-cymene 2290.1
    epichlorohydrin 7228.9
    1,1,1-trichloroethane 10207.99
    2-aminoethanol 1704.25
    morpholine-4-carbaldehyde 3864.08
    sulfolane 5078.21
    2,2,4-trimethylpentane 2299.11
    2-methyltetrahydrofuran 16439.26
    n-hexyl acetate 6561.59
    isooctane 1649.99
    2-(2-butoxyethoxy)ethanol 3656.72
    sec-butyl acetate 4340.11
    tert-butyl acetate 5900.81
    decalin 3142.63
    glycerin 1144.83
    diglyme 6755.74
    acrylic acid 1980.94
    isopropyl myristate 2177.28
    n-butyric acid 7999.17
    acetyl acetate 3267.02
    di(2-ethylhexyl) phthalate 1119.97
    ethyl propionate 4385.53
    nitromethane 3377.21
    1,2-diethoxyethane 10438.28
    benzonitrile 3267.24
    trioctyl phosphate 1092.51
    1-bromopropane 12110.1
    gamma-valerolactone 6733.25
    n-decanol 2204.5
    triethyl phosphate 1810.76
    4-methyl-2-pentanol 4042.18
    propionitrile 5693.06
    vinylene carbonate 2480.46
    1,1,2-trichlorotrifluoroethane 4567.69
    DMS 2042.78
    cumene 1588.18
    2-octanol 2883.27
    2-hexanone 6524.87
    octyl acetate 2426.68
    limonene 5435.15
    1,2-dimethoxyethane 8859.79
    ethyl orthosilicate 2272.75
    tributyl phosphate 1584.57
    diacetone alcohol 3728.17
    N,N-dimethylaniline 1862.41
    acrylonitrile 3759.14
    aniline 3781.51
    1,3-propanediol 3035.15
    bromobenzene 4895.5
    dibromomethane 11772.34
    1,1,2,2-tetrachloroethane 10068.71
    2-methyl-cyclohexyl acetate 3843.62
    tetrabutyl urea 1838.27
    diisobutyl methanol 4025.39
    2-phenylethanol 2922.88
    styrene 3118.43
    dioctyl adipate 2262.95
    dimethyl sulfate 872.15
    ethyl butyrate 6878.73
    methyl lactate 1123.1
    butyl lactate 2506.66
    diethyl carbonate 3205.33
    propanediol butyl ether 2520.96
    triethyl orthoformate 4802.28
    p-tert-butyltoluene 2230.03
    methyl 4-tert-butylbenzoate 1745.22
    morpholine 13617.13
    tert-butylamine 10407.85
    n-dodecanol 1671.0
    dimethoxymethane 3121.14
    ethylene carbonate 2918.64
    cyrene 1300.16
    2-ethoxyethyl acetate 3991.47
    2-ethylhexyl acetate 7298.14
    1,2,4-trichlorobenzene 3357.24
    4-methylpyridine 7200.25
    dibutyl ether 11160.34
    2,6-dimethyl-4-heptanol 4025.39
    DEF 5591.69
    dimethyl isosorbide 3185.16
    tetrachloroethylene 6990.5
    eugenol 1401.46
    triacetin 2927.56
    span 80 2843.16
    1,4-butanediol 1240.09
    1,1-dichloroethane 10847.65
    2-methyl-1-pentanol 5993.44
    methyl formate 977.52
    2-methyl-1-butanol 7697.58
    n-decane 2057.58
    butyronitrile 7969.77
    3,7-dimethyl-1-octanol 4509.76
    1-chlorooctane 4304.19
    1-chlorotetradecane 1344.77
    n-nonane 2628.39
    undecane 1280.85
    tert-butylcyclohexane 2905.94
    cyclooctane 4016.64
    cyclopentanol 7205.37
    tetrahydropyran 21764.0
    tert-amyl methyl ether 8825.98
    2,5,8-trioxanonane 3433.69
    1-hexene 18435.81
    2-isopropoxyethanol 3788.2
    2,2,2-trifluoroethanol 671.03
    methyl butyrate 5899.01

    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