1-Phenoxyheptane

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  • Identifiers

    CAS number
    32395-96-3

    Molecular formula
    C13H20O

    SMILES
    CCCCCCCOC1=CC=CC=C1

  • Odor profile

    Fragrance
    Floral 71.14%
    Green 58.18%
    Fruity 56.19%
    Herbal 44.55%
    Rose 43.82%
    Sweet 41.34%
    Earthy 40.02%
    Balsamic 39.29%
    Fresh 36.47%
    Spicy 35.28%

     

    Flavor
    Green 60.67%
    Fruity 52.7%
    Sweet 52.55%
    Floral 41.33%
    Rose 38.48%
    Waxy 36.63%
    Earthy 36.42%
    Balsam 33.86%
    Fresh 32.45%
    Spicy 29.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.36 (neutral)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point

    • 107.16 ˚C est.

  • Synonyms

    • 1-phenoxyheptane
    • heptoxybenzene
    • (heptyloxy)benzene
    • 32395-96-3
    • Benzene, (heptyloxy)-
    • heptoxy-benzene
    • heptyloxybenzene
    • heptyloxy-benzene
    • heptyl phenyl ether
    • SCHEMBL4631521
    • DTXSID50464517
    • VKFMYOVXGQWPHE-UHFFFAOYSA-N
    • AKOS006274534

  • Applications

    1-Phenoxyheptane (CAS 32395-96-3) is a nonpolar aryl-alkyl ether that is typically evaluated for use as a fragrance material or odorant in perfumery. In cosmetics and personal care, it may function as a fragrance ingredient or solvent. In household cleaning products, it can serve as a fragrance additive or co-solvent to improve odor and formulation performance. In coatings, inks, and adhesives, it can act as a processing aid or diluent to adjust volatility and resin solvency. In industrial manufacturing, it is often used as an intermediate in organic synthesis to prepare more complex specialty chemicals, including components for downstream fragrance or specialty chemical formulations, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10878.08
    methanol 7161.39
    isopropanol 9023.81
    water 0.06
    ethyl acetate 21858.91
    n-propanol 9349.18
    acetone 21896.16
    n-butanol 9478.51
    acetonitrile 16374.64
    DMF 6058.27
    toluene 5273.37
    isobutanol 7012.53
    1,4-dioxane 16196.29
    methyl acetate 12754.98
    THF 15695.36
    2-butanone 15690.14
    n-pentanol 6178.43
    sec-butanol 8595.92
    n-hexane 5897.8
    ethylene glycol 475.63
    NMP 3372.88
    cyclohexane 7275.05
    DMSO 13383.24
    n-butyl acetate 16610.2
    n-octanol 2253.83
    chloroform 25294.7
    n-propyl acetate 11739.13
    acetic acid 5305.68
    dichloromethane 32593.21
    cyclohexanone 15499.37
    propylene glycol 1009.17
    isopropyl acetate 9557.83
    DMAc 3964.83
    2-ethoxyethanol 5375.56
    isopentanol 7525.91
    n-heptane 2882.31
    ethyl formate 6433.38
    1,2-dichloroethane 26091.21
    n-hexanol 7646.16
    2-methoxyethanol 7315.95
    isobutyl acetate 5225.09
    tetrachloromethane 4224.12
    n-pentyl acetate 5411.03
    transcutol 18898.64
    n-heptanol 2028.44
    ethylbenzene 2677.63
    MIBK 5784.46
    2-propoxyethanol 7078.1
    tert-butanol 9102.76
    MTBE 14772.4
    2-butoxyethanol 2981.96
    propionic acid 5222.02
    o-xylene 2112.47
    formic acid 542.72
    diethyl ether 28448.26
    m-xylene 2454.93
    p-xylene 3080.44
    chlorobenzene 6816.66
    dimethyl carbonate 2213.56
    n-octane 762.81
    formamide 1243.66
    cyclopentanone 10408.83
    2-pentanone 14127.48
    anisole 4506.02
    cyclopentyl methyl ether 10276.63
    gamma-butyrolactone 9064.64
    1-methoxy-2-propanol 5762.86
    pyridine 12815.51
    3-pentanone 9552.03
    furfural 5424.14
    n-dodecane 369.82
    diethylene glycol 2524.81
    diisopropyl ether 5696.44
    tert-amyl alcohol 6879.59
    acetylacetone 9188.15
    n-hexadecane 446.07
    acetophenone 3407.07
    methyl propionate 10079.13
    isopentyl acetate 9661.05
    trichloroethylene 27184.35
    n-nonanol 1939.44
    cyclohexanol 7640.37
    benzyl alcohol 2541.06
    2-ethylhexanol 4858.06
    isooctanol 1657.17
    dipropyl ether 12769.32
    1,2-dichlorobenzene 4915.66
    ethyl lactate 1729.58
    propylene carbonate 5424.66
    n-methylformamide 3460.06
    2-pentanol 7401.53
    n-pentane 3762.99
    1-propoxy-2-propanol 6482.16
    1-methoxy-2-propyl acetate 6426.15
    2-(2-methoxypropoxy) propanol 2106.29
    mesitylene 1466.03
    ε-caprolactone 10771.82
    p-cymene 1487.79
    epichlorohydrin 14724.62
    1,1,1-trichloroethane 17194.25
    2-aminoethanol 1682.97
    morpholine-4-carbaldehyde 5039.79
    sulfolane 8669.33
    2,2,4-trimethylpentane 817.58
    2-methyltetrahydrofuran 16531.48
    n-hexyl acetate 6210.39
    isooctane 736.31
    2-(2-butoxyethoxy)ethanol 3405.81
    sec-butyl acetate 6280.38
    tert-butyl acetate 6970.29
    decalin 1550.45
    glycerin 868.88
    diglyme 7812.89
    acrylic acid 2758.2
    isopropyl myristate 1892.56
    n-butyric acid 10818.15
    acetyl acetate 7179.93
    di(2-ethylhexyl) phthalate 965.12
    ethyl propionate 8656.27
    nitromethane 10011.32
    1,2-diethoxyethane 15108.9
    benzonitrile 4701.46
    trioctyl phosphate 853.12
    1-bromopropane 20942.88
    gamma-valerolactone 9461.59
    n-decanol 1328.96
    triethyl phosphate 1669.41
    4-methyl-2-pentanol 2833.11
    propionitrile 11529.35
    vinylene carbonate 4299.83
    1,1,2-trichlorotrifluoroethane 5964.94
    DMS 3329.4
    cumene 1441.16
    2-octanol 1523.8
    2-hexanone 10202.87
    octyl acetate 2125.01
    limonene 3085.96
    1,2-dimethoxyethane 12096.15
    ethyl orthosilicate 1852.42
    tributyl phosphate 1357.25
    diacetone alcohol 4163.59
    N,N-dimethylaniline 2105.27
    acrylonitrile 8934.12
    aniline 4714.26
    1,3-propanediol 3198.9
    bromobenzene 8412.08
    dibromomethane 25336.81
    1,1,2,2-tetrachloroethane 21182.15
    2-methyl-cyclohexyl acetate 3143.11
    tetrabutyl urea 1616.29
    diisobutyl methanol 2244.49
    2-phenylethanol 2949.36
    styrene 4313.95
    dioctyl adipate 2236.84
    dimethyl sulfate 2263.03
    ethyl butyrate 9214.95
    methyl lactate 1652.2
    butyl lactate 2415.37
    diethyl carbonate 4377.85
    propanediol butyl ether 2077.01
    triethyl orthoformate 4246.23
    p-tert-butyltoluene 1331.17
    methyl 4-tert-butylbenzoate 1686.25
    morpholine 18833.95
    tert-butylamine 7166.97
    n-dodecanol 981.04
    dimethoxymethane 7550.37
    ethylene carbonate 4959.02
    cyrene 1176.48
    2-ethoxyethyl acetate 5795.63
    2-ethylhexyl acetate 7491.67
    1,2,4-trichlorobenzene 5048.9
    4-methylpyridine 11011.9
    dibutyl ether 9638.61
    2,6-dimethyl-4-heptanol 2244.49
    DEF 10221.74
    dimethyl isosorbide 3252.87
    tetrachloroethylene 12940.15
    eugenol 1538.11
    triacetin 3307.01
    span 80 2011.22
    1,4-butanediol 1196.72
    1,1-dichloroethane 24599.19
    2-methyl-1-pentanol 4932.79
    methyl formate 2577.26
    2-methyl-1-butanol 6772.57
    n-decane 801.53
    butyronitrile 14129.6
    3,7-dimethyl-1-octanol 2529.97
    1-chlorooctane 2844.39
    1-chlorotetradecane 856.99
    n-nonane 970.62
    undecane 505.31
    tert-butylcyclohexane 1297.49
    cyclooctane 1757.54
    cyclopentanol 5317.69
    tetrahydropyran 27114.12
    tert-amyl methyl ether 7408.41
    2,5,8-trioxanonane 3760.65
    1-hexene 13758.1
    2-isopropoxyethanol 3995.95
    2,2,2-trifluoroethanol 1004.56
    methyl butyrate 11459.0

    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