Ethanone, 1-(4-octylphenyl)-

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  • Identifiers

    CAS number
    10541-56-7

    Molecular formula
    C16H24O

    SMILES
    CCCCCCCCC1=CC=C(C=C1)C(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 67.14%
    Sweet 54.41%
    Waxy 50.61%
    Fatty 47.75%
    Herbal 40.66%
    Balsamic 40.21%
    Spicy 39.63%
    Fruity 37.01%
    Fresh 36.28%
    Oily 36.24%

     

    Flavor
    Herbal 47.51%
    Woody 43.92%
    Fresh 43.38%
    Floral 42.39%
    Spicy 39.14%
    Waxy 38.79%
    Sweet 35.8%
    Fruity 35.32%
    Fatty 32.34%
    Oily 29.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    8.46 (weak base)

    Molecular weight
    232.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    323°C

    Flash point

    • 138.26 ˚C est.

  • Synonyms

    • 10541-56-7
    • p-Octylacetophenone
    • 4-n-Octylacetophenone
    • Ethanone, 1-(4-octylphenyl)-
    • NSC 168987
    • DTXSID3065116
    • RefChem:138360
    • DTXCID9032955
    • GARQDIVXKVBJFP-UHFFFAOYSA-N
    • 1-(4-Octylphenyl)ethanone
    • 4'-n-Octylacetophenone
    • 4'-Octylacetophenone
    • p-n-Octylacetophenone
    • Acetophenone, 4'-octyl-
    • MFCD00043682
    • 1-(4-octylphenyl)ethan-1-one
    • 1-acetyl-4-octylbenzene
    • 1-(4-Octylphenyl)ethanone; NSC 168987; p-Octylacetophenone; p-n-Octylacetophenone
    • p-octylaceto-phenone
    • NSC168987
    • SCHEMBL965453
    • 1-(4-Octylphenyl)ethanone #
    • Ethanone,1-(4-octylphenyl)-
    • 4\'-N-OCTYLACETOPHENONE
    • CHEBI:189354
    • 4'-n-Octylacetophenone, >/=97%
    • SBB008323
    • AKOS015890857
    • NSC-168987
    • AS-58508
    • SY040607
    • CS-0152268
    • O0207
    • ST50827234
    • 4 inverted exclamation mark -Octylacetophenone
    • D84198
    • F219116
    • 10541-56-7

  • Applications

    Ethanone, 1-(4-octylphenyl)- (CAS 10541-56-7) is primarily used as a fragrance ingredient and odorant in perfumery and personal care products, and is also evaluated as a specialty intermediate in organic synthesis for industrial manufacturing. It may be employed in household products such as air fresheners and cleaners to impart fragrance, and can serve as a precursor or additive in polymer or coating formulations where aromatic ketone intermediates are involved. Use is subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5001.95
    methanol 4300.68
    isopropanol 3595.81
    water 0.03
    ethyl acetate 7873.06
    n-propanol 4365.02
    acetone 8406.02
    n-butanol 3196.65
    acetonitrile 5447.12
    DMF 4289.29
    toluene 1841.37
    isobutanol 2455.35
    1,4-dioxane 6987.3
    methyl acetate 4675.06
    THF 5693.2
    2-butanone 6385.64
    n-pentanol 1995.58
    sec-butanol 2743.74
    n-hexane 521.64
    ethylene glycol 129.74
    NMP 1897.76
    cyclohexane 804.62
    DMSO 3681.91
    n-butyl acetate 3697.48
    n-octanol 346.64
    chloroform 7294.52
    n-propyl acetate 3747.21
    acetic acid 1182.66
    dichloromethane 9362.13
    cyclohexanone 5894.96
    propylene glycol 370.05
    isopropyl acetate 3748.49
    DMAc 2680.11
    2-ethoxyethanol 2478.49
    isopentanol 2350.02
    n-heptane 142.01
    ethyl formate 1960.42
    1,2-dichloroethane 7974.42
    n-hexanol 1729.44
    2-methoxyethanol 3661.13
    isobutyl acetate 1798.99
    tetrachloromethane 935.97
    n-pentyl acetate 1438.79
    transcutol 8305.56
    n-heptanol 430.86
    ethylbenzene 818.86
    MIBK 2179.7
    2-propoxyethanol 2644.39
    tert-butanol 3186.83
    MTBE 6330.94
    2-butoxyethanol 1013.24
    propionic acid 1629.08
    o-xylene 719.87
    formic acid 176.37
    diethyl ether 10560.78
    m-xylene 883.55
    p-xylene 861.9
    chlorobenzene 1996.48
    dimethyl carbonate 705.47
    n-octane 53.58
    formamide 516.68
    cyclopentanone 4072.81
    2-pentanone 5377.98
    anisole 1641.54
    cyclopentyl methyl ether 3553.19
    gamma-butyrolactone 3358.7
    1-methoxy-2-propanol 2558.09
    pyridine 4929.66
    3-pentanone 3518.68
    furfural 2052.24
    n-dodecane 31.17
    diethylene glycol 934.18
    diisopropyl ether 1521.58
    tert-amyl alcohol 2232.46
    acetylacetone 3528.42
    n-hexadecane 39.26
    acetophenone 1184.03
    methyl propionate 3823.78
    isopentyl acetate 2817.49
    trichloroethylene 8426.26
    n-nonanol 326.44
    cyclohexanol 2160.37
    benzyl alcohol 1005.23
    2-ethylhexanol 936.31
    isooctanol 399.79
    dipropyl ether 2462.06
    1,2-dichlorobenzene 1540.68
    ethyl lactate 568.72
    propylene carbonate 1712.89
    n-methylformamide 1869.96
    2-pentanol 2119.88
    n-pentane 310.9
    1-propoxy-2-propanol 1944.49
    1-methoxy-2-propyl acetate 2516.19
    2-(2-methoxypropoxy) propanol 815.22
    mesitylene 500.99
    ε-caprolactone 3843.12
    p-cymene 316.2
    epichlorohydrin 5791.18
    1,1,1-trichloroethane 4548.93
    2-aminoethanol 718.75
    morpholine-4-carbaldehyde 2573.92
    sulfolane 2755.11
    2,2,4-trimethylpentane 122.02
    2-methyltetrahydrofuran 5471.01
    n-hexyl acetate 1507.07
    isooctane 99.56
    2-(2-butoxyethoxy)ethanol 1306.33
    sec-butyl acetate 2187.94
    tert-butyl acetate 2992.08
    decalin 248.04
    glycerin 344.35
    diglyme 3031.76
    acrylic acid 740.86
    isopropyl myristate 470.84
    n-butyric acid 3190.92
    acetyl acetate 2059.65
    di(2-ethylhexyl) phthalate 312.06
    ethyl propionate 2751.29
    nitromethane 3305.0
    1,2-diethoxyethane 4609.64
    benzonitrile 1452.03
    trioctyl phosphate 220.63
    1-bromopropane 5625.36
    gamma-valerolactone 5038.0
    n-decanol 230.9
    triethyl phosphate 500.25
    4-methyl-2-pentanol 789.98
    propionitrile 4410.48
    vinylene carbonate 1405.26
    1,1,2-trichlorotrifluoroethane 2016.1
    DMS 1106.06
    cumene 427.05
    2-octanol 305.69
    2-hexanone 3162.69
    octyl acetate 531.52
    limonene 630.18
    1,2-dimethoxyethane 5005.3
    ethyl orthosilicate 538.29
    tributyl phosphate 363.23
    diacetone alcohol 1773.77
    N,N-dimethylaniline 742.03
    acrylonitrile 3081.84
    aniline 1838.33
    1,3-propanediol 1269.02
    bromobenzene 2223.95
    dibromomethane 6339.69
    1,1,2,2-tetrachloroethane 6600.24
    2-methyl-cyclohexyl acetate 943.9
    tetrabutyl urea 433.39
    diisobutyl methanol 452.5
    2-phenylethanol 907.92
    styrene 1280.69
    dioctyl adipate 622.44
    dimethyl sulfate 831.04
    ethyl butyrate 2123.4
    methyl lactate 591.77
    butyl lactate 722.05
    diethyl carbonate 1060.06
    propanediol butyl ether 638.26
    triethyl orthoformate 1143.83
    p-tert-butyltoluene 296.0
    methyl 4-tert-butylbenzoate 629.59
    morpholine 9611.03
    tert-butylamine 2158.5
    n-dodecanol 168.68
    dimethoxymethane 3855.5
    ethylene carbonate 1552.38
    cyrene 561.94
    2-ethoxyethyl acetate 1996.88
    2-ethylhexyl acetate 2027.58
    1,2,4-trichlorobenzene 1602.41
    4-methylpyridine 4673.27
    dibutyl ether 1627.35
    2,6-dimethyl-4-heptanol 452.5
    DEF 4972.64
    dimethyl isosorbide 1336.35
    tetrachloroethylene 3852.47
    eugenol 594.01
    triacetin 1024.44
    span 80 628.2
    1,4-butanediol 413.79
    1,1-dichloroethane 7284.79
    2-methyl-1-pentanol 1506.07
    methyl formate 949.63
    2-methyl-1-butanol 2197.3
    n-decane 64.71
    butyronitrile 4199.12
    3,7-dimethyl-1-octanol 494.89
    1-chlorooctane 404.98
    1-chlorotetradecane 123.36
    n-nonane 66.77
    undecane 42.14
    tert-butylcyclohexane 209.23
    cyclooctane 157.1
    cyclopentanol 1532.12
    tetrahydropyran 9881.53
    tert-amyl methyl ether 2997.79
    2,5,8-trioxanonane 1517.09
    1-hexene 2577.42
    2-isopropoxyethanol 1684.2
    2,2,2-trifluoroethanol 250.55
    methyl butyrate 3873.74

    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