1-Propoxyheptane

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  • Identifiers

    CAS number
    71112-89-5

    Molecular formula
    C10H22O

    SMILES
    CCCCCCCOCCC

  • Odor profile

    Fragrance
    Green 89.76%
    Floral 66.58%
    Herbal 60.63%
    Sweet 58.91%
    Fresh 55.26%
    Fruity 54.94%
    Oily 54.18%
    Fatty 48.62%
    Citrus 46.11%
    Waxy 45.93%

     

    Flavor
    Fruity 63.64%
    Sweet 63.29%
    Herbal 61.0%
    Green 57.98%
    Floral 45.09%
    Rose 39.65%
    Mushroom 38.99%
    Earthy 38.48%
    Orange 35.66%
    Fresh 34.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.6 (neutral)

    Molecular weight
    158.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    187°C

    Flash point

    • 58.93 ˚C est.

  • Synonyms

    • 1-Propoxyheptane
    • Heptyl propyl ether
    • n-Propyl heptyl ether
    • 1-Propoxyheptane #
    • 71112-89-5
    • n-Propyl-n-heptylather
    • SCHEMBL777304
    • DTXSID20991421
    • DOYXDCAHTUMXDF-UHFFFAOYSA-N

  • Applications

    1-Propoxyheptane (CAS 71112-89-5) is primarily used as an organic solvent and processing aid across multiple industries. Common applications include acting as a non-polar solvent for coatings, inks, and adhesives; serving as a solvent or carrier component in fragrance and cosmetic formulations; functioning as an intermediate in organic synthesis for specialty chemicals; acting as a plasticizer or processing aid in certain polymers; and used in industrial cleaning and degreasing formulations. These uses are typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26555.84
    methanol 17812.26
    isopropanol 27860.69
    water 0.26
    ethyl acetate 31285.36
    n-propanol 25314.16
    acetone 32398.89
    n-butanol 29991.99
    acetonitrile 20506.2
    DMF 9941.69
    toluene 9271.44
    isobutanol 19156.76
    1,4-dioxane 26844.87
    methyl acetate 16340.5
    THF 35389.25
    2-butanone 24261.45
    n-pentanol 18244.52
    sec-butanol 25430.94
    n-hexane 31536.17
    ethylene glycol 1328.23
    NMP 7120.47
    cyclohexane 32315.47
    DMSO 16870.28
    n-butyl acetate 41126.72
    n-octanol 8836.94
    chloroform 39992.81
    n-propyl acetate 22240.54
    acetic acid 11459.75
    dichloromethane 39280.89
    cyclohexanone 29544.6
    propylene glycol 2674.44
    isopropyl acetate 18722.74
    DMAc 6517.27
    2-ethoxyethanol 12469.49
    isopentanol 24975.36
    n-heptane 22569.39
    ethyl formate 11777.1
    1,2-dichloroethane 27208.23
    n-hexanol 26509.96
    2-methoxyethanol 16498.62
    isobutyl acetate 11220.15
    tetrachloromethane 12207.46
    n-pentyl acetate 16134.9
    transcutol 32624.05
    n-heptanol 8563.55
    ethylbenzene 6159.66
    MIBK 12715.26
    2-propoxyethanol 19207.38
    tert-butanol 32068.58
    MTBE 35249.7
    2-butoxyethanol 9712.68
    propionic acid 10410.22
    o-xylene 4732.57
    formic acid 1178.97
    diethyl ether 50900.78
    m-xylene 5372.67
    p-xylene 7667.64
    chlorobenzene 10598.53
    dimethyl carbonate 1999.19
    n-octane 5220.44
    formamide 1975.19
    cyclopentanone 19606.0
    2-pentanone 26027.93
    anisole 7679.61
    cyclopentyl methyl ether 25257.43
    gamma-butyrolactone 15276.3
    1-methoxy-2-propanol 13884.66
    pyridine 21116.04
    3-pentanone 14842.55
    furfural 9836.65
    n-dodecane 1738.06
    diethylene glycol 5832.54
    diisopropyl ether 15153.41
    tert-amyl alcohol 24409.17
    acetylacetone 13881.71
    n-hexadecane 2034.63
    acetophenone 5828.57
    methyl propionate 12273.14
    isopentyl acetate 25707.32
    trichloroethylene 33903.9
    n-nonanol 7011.28
    cyclohexanol 25434.29
    benzyl alcohol 5436.67
    2-ethylhexanol 21527.19
    isooctanol 7347.54
    dipropyl ether 43376.12
    1,2-dichlorobenzene 8191.7
    ethyl lactate 3686.59
    propylene carbonate 9374.04
    n-methylformamide 5826.83
    2-pentanol 24762.4
    n-pentane 20246.9
    1-propoxy-2-propanol 21655.24
    1-methoxy-2-propyl acetate 12397.88
    2-(2-methoxypropoxy) propanol 4265.84
    mesitylene 3579.75
    ε-caprolactone 21881.14
    p-cymene 5392.26
    epichlorohydrin 20749.46
    1,1,1-trichloroethane 31096.44
    2-aminoethanol 4392.38
    morpholine-4-carbaldehyde 9655.01
    sulfolane 12508.49
    2,2,4-trimethylpentane 4097.65
    2-methyltetrahydrofuran 40747.38
    n-hexyl acetate 16333.96
    isooctane 3691.68
    2-(2-butoxyethoxy)ethanol 7718.79
    sec-butyl acetate 14005.56
    tert-butyl acetate 16050.01
    decalin 5782.81
    glycerin 2260.78
    diglyme 16926.79
    acrylic acid 5386.71
    isopropyl myristate 4581.64
    n-butyric acid 26744.15
    acetyl acetate 10054.51
    di(2-ethylhexyl) phthalate 2062.16
    ethyl propionate 15301.17
    nitromethane 14301.34
    1,2-diethoxyethane 31025.23
    benzonitrile 10018.6
    trioctyl phosphate 2100.45
    1-bromopropane 37490.48
    gamma-valerolactone 18996.04
    n-decanol 4579.24
    triethyl phosphate 4221.24
    4-methyl-2-pentanol 10365.19
    propionitrile 20402.07
    vinylene carbonate 7065.7
    1,1,2-trichlorotrifluoroethane 11097.45
    DMS 4608.55
    cumene 3605.07
    2-octanol 7186.75
    2-hexanone 20868.27
    octyl acetate 5122.73
    limonene 11674.97
    1,2-dimethoxyethane 26454.79
    ethyl orthosilicate 5464.31
    tributyl phosphate 3300.57
    diacetone alcohol 9818.14
    N,N-dimethylaniline 4383.18
    acrylonitrile 13889.59
    aniline 9154.69
    1,3-propanediol 8530.67
    bromobenzene 12581.87
    dibromomethane 38295.49
    1,1,2,2-tetrachloroethane 27694.14
    2-methyl-cyclohexyl acetate 8769.0
    tetrabutyl urea 3798.21
    diisobutyl methanol 10195.26
    2-phenylethanol 6739.75
    styrene 8408.94
    dioctyl adipate 4716.5
    dimethyl sulfate 2249.05
    ethyl butyrate 25152.51
    methyl lactate 2653.44
    butyl lactate 6815.72
    diethyl carbonate 9504.87
    propanediol butyl ether 5742.35
    triethyl orthoformate 13882.2
    p-tert-butyltoluene 4865.6
    methyl 4-tert-butylbenzoate 3460.69
    morpholine 34017.38
    tert-butylamine 28955.27
    n-dodecanol 3285.38
    dimethoxymethane 10189.68
    ethylene carbonate 8582.8
    cyrene 2280.3
    2-ethoxyethyl acetate 11632.62
    2-ethylhexyl acetate 21157.21
    1,2,4-trichlorobenzene 7669.98
    4-methylpyridine 19967.14
    dibutyl ether 31350.54
    2,6-dimethyl-4-heptanol 10195.26
    DEF 18688.02
    dimethyl isosorbide 6008.75
    tetrachloroethylene 20972.7
    eugenol 2985.29
    triacetin 5899.5
    span 80 5396.83
    1,4-butanediol 3268.03
    1,1-dichloroethane 35677.64
    2-methyl-1-pentanol 15063.78
    methyl formate 3859.69
    2-methyl-1-butanol 20801.87
    n-decane 4197.03
    butyronitrile 32358.5
    3,7-dimethyl-1-octanol 9740.03
    1-chlorooctane 9146.5
    1-chlorotetradecane 2522.41
    n-nonane 5532.56
    undecane 2504.36
    tert-butylcyclohexane 5413.73
    cyclooctane 7987.24
    cyclopentanol 18364.77
    tetrahydropyran 58185.94
    tert-amyl methyl ether 20015.99
    2,5,8-trioxanonane 7022.0
    1-hexene 47622.26
    2-isopropoxyethanol 9957.46
    2,2,2-trifluoroethanol 1907.54
    methyl butyrate 21830.73

    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