3'-Hexyloxyacetophenone

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  • Identifiers

    CAS number
    37062-71-8

    Molecular formula
    C14H20O2

    SMILES
    CCCCCCOC1=CC=CC(=C1)C(=O)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 78.44%
    Sweet 75.83%
    Fruity 57.95%
    Balsamic 54.2%
    Herbal 51.05%
    Spicy 46.95%
    Woody 37.19%
    Anisic 37.04%
    Vanilla 34.31%
    Green 33.78%

     

    Flavor
    Spicy 55.03%
    Woody 49.63%
    Sweet 46.67%
    Herbal 44.19%
    Balsam 44.17%
    Floral 40.33%
    Fresh 31.79%
    Spice 29.97%
    Clove 29.17%
    Earthy 27.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.56 (weak base)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 133.47 ˚C est.

  • Synonyms

    • 3'-Hexyloxyacetophenone
    • 37062-71-8
    • 1-(3-hexoxyphenyl)ethanone
    • 1-(3-hexyloxyphenyl)ethanone
    • 1-(3-(Hexyloxy)phenyl)ethanone
    • 1-[3-(Hexyloxy)phenyl]ethanone
    • 3''-HEXYLOXYACETOPHENONE
    • SCHEMBL1436340
    • DTXSID40342032
    • 1-[3-(Hexyloxy)phenyl]ethanone #
    • MFCD00075025
    • 1-[3-(Hexyloxy)phenyl]ethan-1-one
    • AKOS009286424
    • DB-102603
    • A1-08511
    • 37062-71-8

  • Applications

    3'-Hexyloxyacetophenone (CAS 37062-71-8) is an acetophenone-derived compound commonly considered a fragrance-related chemical and a specialty intermediate. In the fragrance industry, it may be used as a scent ingredient or as a building block for synthesizing more complex aroma compounds; in cosmetics and personal care, it may serve as a fragrance component in products such as creams, perfumes, and cleansers; in the flavor/aroma sector, it may be evaluated as a flavor intermediate; as a chemical intermediate, it is used in the preparation of related fragrance materials and other specialty chemicals for coatings, inks, and household products requiring a scent; and in research and development settings, it is used as a building block for fragrance chemistry workflows, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2479.12
    methanol 3012.25
    isopropanol 1250.73
    water 0.19
    ethyl acetate 3014.68
    n-propanol 1679.91
    acetone 2382.8
    n-butanol 1419.86
    acetonitrile 2918.97
    DMF 1431.15
    toluene 705.87
    isobutanol 983.28
    1,4-dioxane 2725.77
    methyl acetate 2068.57
    THF 1852.77
    2-butanone 1786.1
    n-pentanol 897.84
    sec-butanol 1007.77
    n-hexane 113.57
    ethylene glycol 233.95
    NMP 815.1
    cyclohexane 224.26
    DMSO 2323.81
    n-butyl acetate 1537.41
    n-octanol 214.06
    chloroform 4681.52
    n-propyl acetate 1231.69
    acetic acid 1198.66
    dichloromethane 5488.31
    cyclohexanone 1926.58
    propylene glycol 366.24
    isopropyl acetate 1372.31
    DMAc 1336.85
    2-ethoxyethanol 1255.91
    isopentanol 1056.34
    n-heptane 44.38
    ethyl formate 1000.28
    1,2-dichloroethane 3820.12
    n-hexanol 784.99
    2-methoxyethanol 1830.54
    isobutyl acetate 716.82
    tetrachloromethane 450.19
    n-pentyl acetate 558.28
    transcutol 3808.79
    n-heptanol 206.7
    ethylbenzene 368.36
    MIBK 731.59
    2-propoxyethanol 1218.15
    tert-butanol 1279.53
    MTBE 1567.23
    2-butoxyethanol 488.51
    propionic acid 990.56
    o-xylene 349.24
    formic acid 292.46
    diethyl ether 2635.98
    m-xylene 377.04
    p-xylene 418.51
    chlorobenzene 1068.27
    dimethyl carbonate 443.13
    n-octane 22.11
    formamide 571.73
    cyclopentanone 1486.83
    2-pentanone 1493.06
    anisole 814.87
    cyclopentyl methyl ether 1027.76
    gamma-butyrolactone 1513.22
    1-methoxy-2-propanol 1095.17
    pyridine 2070.2
    3-pentanone 1050.06
    furfural 1302.03
    n-dodecane 21.32
    diethylene glycol 796.51
    diisopropyl ether 408.69
    tert-amyl alcohol 945.02
    acetylacetone 1474.2
    n-hexadecane 25.49
    acetophenone 663.1
    methyl propionate 1458.18
    isopentyl acetate 1172.27
    trichloroethylene 4838.07
    n-nonanol 194.18
    cyclohexanol 936.25
    benzyl alcohol 622.09
    2-ethylhexanol 423.34
    isooctanol 184.82
    dipropyl ether 592.83
    1,2-dichlorobenzene 889.96
    ethyl lactate 342.12
    propylene carbonate 984.2
    n-methylformamide 814.45
    2-pentanol 778.7
    n-pentane 78.48
    1-propoxy-2-propanol 782.33
    1-methoxy-2-propyl acetate 1031.55
    2-(2-methoxypropoxy) propanol 529.06
    mesitylene 221.5
    ε-caprolactone 1551.95
    p-cymene 173.44
    epichlorohydrin 2550.0
    1,1,1-trichloroethane 2314.1
    2-aminoethanol 615.38
    morpholine-4-carbaldehyde 1214.67
    sulfolane 1413.98
    2,2,4-trimethylpentane 49.66
    2-methyltetrahydrofuran 1638.08
    n-hexyl acetate 693.93
    isooctane 38.58
    2-(2-butoxyethoxy)ethanol 744.56
    sec-butyl acetate 809.95
    tert-butyl acetate 1050.92
    decalin 104.25
    glycerin 400.06
    diglyme 1530.13
    acrylic acid 655.78
    isopropyl myristate 248.35
    n-butyric acid 1598.04
    acetyl acetate 1301.76
    di(2-ethylhexyl) phthalate 215.26
    ethyl propionate 980.96
    nitromethane 2119.33
    1,2-diethoxyethane 1572.75
    benzonitrile 858.64
    trioctyl phosphate 139.91
    1-bromopropane 2023.06
    gamma-valerolactone 1760.57
    n-decanol 139.8
    triethyl phosphate 278.28
    4-methyl-2-pentanol 339.29
    propionitrile 1615.11
    vinylene carbonate 899.92
    1,1,2-trichlorotrifluoroethane 1297.69
    DMS 709.92
    cumene 217.16
    2-octanol 149.75
    2-hexanone 980.05
    octyl acetate 291.75
    limonene 281.5
    1,2-dimethoxyethane 1995.2
    ethyl orthosilicate 277.01
    tributyl phosphate 224.87
    diacetone alcohol 785.5
    N,N-dimethylaniline 396.08
    acrylonitrile 1581.19
    aniline 837.1
    1,3-propanediol 882.85
    bromobenzene 1250.89
    dibromomethane 3511.9
    1,1,2,2-tetrachloroethane 3926.9
    2-methyl-cyclohexyl acetate 466.5
    tetrabutyl urea 260.72
    diisobutyl methanol 206.76
    2-phenylethanol 564.74
    styrene 578.81
    dioctyl adipate 364.37
    dimethyl sulfate 542.14
    ethyl butyrate 846.75
    methyl lactate 390.47
    butyl lactate 368.59
    diethyl carbonate 550.3
    propanediol butyl ether 403.37
    triethyl orthoformate 467.45
    p-tert-butyltoluene 158.79
    methyl 4-tert-butylbenzoate 381.94
    morpholine 3291.03
    tert-butylamine 752.52
    n-dodecanol 109.43
    dimethoxymethane 1282.99
    ethylene carbonate 870.1
    cyrene 373.13
    2-ethoxyethyl acetate 894.14
    2-ethylhexyl acetate 845.9
    1,2,4-trichlorobenzene 1018.99
    4-methylpyridine 1853.2
    dibutyl ether 533.16
    2,6-dimethyl-4-heptanol 206.76
    DEF 1476.32
    dimethyl isosorbide 759.06
    tetrachloroethylene 2179.5
    eugenol 406.74
    triacetin 624.68
    span 80 399.51
    1,4-butanediol 372.3
    1,1-dichloroethane 3170.41
    2-methyl-1-pentanol 756.91
    methyl formate 556.31
    2-methyl-1-butanol 980.72
    n-decane 35.65
    butyronitrile 1617.12
    3,7-dimethyl-1-octanol 269.03
    1-chlorooctane 204.63
    1-chlorotetradecane 78.45
    n-nonane 33.78
    undecane 26.12
    tert-butylcyclohexane 86.35
    cyclooctane 48.77
    cyclopentanol 647.68
    tetrahydropyran 2813.64
    tert-amyl methyl ether 856.99
    2,5,8-trioxanonane 967.99
    1-hexene 644.57
    2-isopropoxyethanol 844.17
    2,2,2-trifluoroethanol 293.1
    methyl butyrate 1386.01

    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