Ethanone, 1-(3-butyl-4-methylphenyl)-

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  • Identifiers

    CAS number
    67663-03-0

    Molecular formula
    C13H18O

    SMILES
    CCCCC1=C(C=CC(=C1)C(=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 69.55%
    Herbal 56.54%
    Sweet 56.46%
    Spicy 41.51%
    Woody 36.03%
    Balsamic 33.77%
    Hay 33.03%
    Animal 31.69%
    Powdery 31.4%
    Phenolic 29.59%

     

    Flavor
    Woody 63.38%
    Spicy 58.09%
    Herbal 53.77%
    Floral 41.32%
    Sweet 36.23%
    Phenolic 34.26%
    Spice 33.97%
    Clove 31.63%
    Medicinal 29.14%
    Minty 25.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.98 (weak base)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    271°C

    Flash point

    • 112.72 ˚C est.

  • Synonyms

    • Ethanone, 1-(3-butyl-4-methylphenyl)-
    • 1-(3-Butyl-4-methylphenyl)ethanone
    • 67663-03-0
    • EINECS 266-849-6
    • DTXSID3070543
    • RefChem:138350
    • DTXCID4044955
    • 1-(3-Butyl-4-methylphenyl)ethan-1-one
    • SCHEMBL29827702
    • POZXPCYPGRBKIL-UHFFFAOYSA-N
    • 3-butyl-4-methyl phenyl methyl ketone
    • NS00012055
    • 67663-03-0

  • Applications

    Ethanone, 1-(3-butyl-4-methylphenyl)- (CAS 67663-03-0) is often used as an aroma intermediate and odorant in perfumery, contributing specific notes in fragrance formulations. It may be used as a building block in organic synthesis for pharmaceuticals and other specialty chemicals. In cosmetics and personal care, it can serve as a fragrance ingredient in lotions, creams, and toiletries. In household products, it is sometimes added as a fragrance component for cleaners and air fresheners. In industrial manufacturing, it provides a synthetic intermediate for the preparation of dyes and other specialty chemicals. In coatings and inks, it may be employed as a fragrance additive or as a precursor in fragrance-containing formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2860.76
    methanol 2248.22
    isopropanol 2251.33
    water 0.29
    ethyl acetate 3647.5
    n-propanol 2614.45
    acetone 3566.25
    n-butanol 2050.6
    acetonitrile 3687.81
    DMF 4035.55
    toluene 1637.41
    isobutanol 1695.21
    1,4-dioxane 4403.92
    methyl acetate 3147.82
    THF 3091.2
    2-butanone 3345.88
    n-pentanol 1192.19
    sec-butanol 1713.89
    n-hexane 239.5
    ethylene glycol 218.61
    NMP 1903.82
    cyclohexane 364.3
    DMSO 1923.34
    n-butyl acetate 2266.47
    n-octanol 387.38
    chloroform 6159.79
    n-propyl acetate 1476.64
    acetic acid 894.76
    dichloromethane 6540.66
    cyclohexanone 3470.81
    propylene glycol 430.31
    isopropyl acetate 1666.64
    DMAc 2230.5
    2-ethoxyethanol 1119.54
    isopentanol 1442.8
    n-heptane 101.2
    ethyl formate 1585.64
    1,2-dichloroethane 4399.09
    n-hexanol 1533.4
    2-methoxyethanol 2210.24
    isobutyl acetate 849.14
    tetrachloromethane 762.61
    n-pentyl acetate 780.08
    transcutol 3604.21
    n-heptanol 423.23
    ethylbenzene 712.63
    MIBK 1019.29
    2-propoxyethanol 1839.99
    tert-butanol 2055.54
    MTBE 2556.01
    2-butoxyethanol 725.78
    propionic acid 1226.51
    o-xylene 684.29
    formic acid 195.87
    diethyl ether 3198.21
    m-xylene 848.81
    p-xylene 805.48
    chlorobenzene 1760.07
    dimethyl carbonate 644.75
    n-octane 49.95
    formamide 544.54
    cyclopentanone 2999.7
    2-pentanone 2490.72
    anisole 1247.01
    cyclopentyl methyl ether 1690.24
    gamma-butyrolactone 2771.85
    1-methoxy-2-propanol 1495.67
    pyridine 3663.26
    3-pentanone 1842.66
    furfural 1859.0
    n-dodecane 37.7
    diethylene glycol 831.06
    diisopropyl ether 603.16
    tert-amyl alcohol 1518.42
    acetylacetone 1874.73
    n-hexadecane 45.13
    acetophenone 905.11
    methyl propionate 2224.38
    isopentyl acetate 1702.72
    trichloroethylene 6774.05
    n-nonanol 335.36
    cyclohexanol 1447.65
    benzyl alcohol 903.04
    2-ethylhexanol 748.55
    isooctanol 334.11
    dipropyl ether 1009.2
    1,2-dichlorobenzene 1211.78
    ethyl lactate 359.63
    propylene carbonate 1413.01
    n-methylformamide 1679.8
    2-pentanol 1206.84
    n-pentane 183.47
    1-propoxy-2-propanol 1254.02
    1-methoxy-2-propyl acetate 1422.48
    2-(2-methoxypropoxy) propanol 589.99
    mesitylene 401.69
    ε-caprolactone 2424.44
    p-cymene 292.47
    epichlorohydrin 3615.82
    1,1,1-trichloroethane 3328.41
    2-aminoethanol 654.96
    morpholine-4-carbaldehyde 2279.3
    sulfolane 1887.97
    2,2,4-trimethylpentane 81.42
    2-methyltetrahydrofuran 2926.99
    n-hexyl acetate 1021.74
    isooctane 70.12
    2-(2-butoxyethoxy)ethanol 899.47
    sec-butyl acetate 942.32
    tert-butyl acetate 1279.56
    decalin 163.35
    glycerin 383.86
    diglyme 1733.05
    acrylic acid 757.36
    isopropyl myristate 330.89
    n-butyric acid 1938.73
    acetyl acetate 1196.54
    di(2-ethylhexyl) phthalate 268.93
    ethyl propionate 1264.11
    nitromethane 2221.57
    1,2-diethoxyethane 1776.57
    benzonitrile 1371.58
    trioctyl phosphate 196.24
    1-bromopropane 2743.13
    gamma-valerolactone 3287.32
    n-decanol 246.43
    triethyl phosphate 310.69
    4-methyl-2-pentanol 500.77
    propionitrile 2845.98
    vinylene carbonate 1355.0
    1,1,2-trichlorotrifluoroethane 1461.52
    DMS 820.1
    cumene 386.35
    2-octanol 302.44
    2-hexanone 1477.42
    octyl acetate 425.64
    limonene 470.49
    1,2-dimethoxyethane 2415.69
    ethyl orthosilicate 316.28
    tributyl phosphate 279.19
    diacetone alcohol 1011.98
    N,N-dimethylaniline 647.15
    acrylonitrile 2703.07
    aniline 1701.06
    1,3-propanediol 1011.38
    bromobenzene 1988.37
    dibromomethane 4260.01
    1,1,2,2-tetrachloroethane 4632.63
    2-methyl-cyclohexyl acetate 596.46
    tetrabutyl urea 340.15
    diisobutyl methanol 320.38
    2-phenylethanol 890.97
    styrene 1049.16
    dioctyl adipate 436.03
    dimethyl sulfate 690.21
    ethyl butyrate 1150.35
    methyl lactate 474.03
    butyl lactate 474.08
    diethyl carbonate 657.14
    propanediol butyl ether 567.61
    triethyl orthoformate 602.86
    p-tert-butyltoluene 279.83
    methyl 4-tert-butylbenzoate 528.6
    morpholine 5307.84
    tert-butylamine 1379.52
    n-dodecanol 185.06
    dimethoxymethane 2054.17
    ethylene carbonate 1289.75
    cyrene 484.63
    2-ethoxyethyl acetate 1067.93
    2-ethylhexyl acetate 1253.81
    1,2,4-trichlorobenzene 1341.11
    4-methylpyridine 3813.72
    dibutyl ether 766.83
    2,6-dimethyl-4-heptanol 320.38
    DEF 2815.63
    dimethyl isosorbide 963.42
    tetrachloroethylene 2620.86
    eugenol 543.57
    triacetin 682.21
    span 80 500.08
    1,4-butanediol 338.7
    1,1-dichloroethane 4575.66
    2-methyl-1-pentanol 988.71
    methyl formate 1072.11
    2-methyl-1-butanol 1471.39
    n-decane 67.07
    butyronitrile 2593.39
    3,7-dimethyl-1-octanol 404.0
    1-chlorooctane 358.08
    1-chlorotetradecane 125.41
    n-nonane 65.92
    undecane 49.06
    tert-butylcyclohexane 149.99
    cyclooctane 93.73
    cyclopentanol 1166.75
    tetrahydropyran 4301.83
    tert-amyl methyl ether 1297.42
    2,5,8-trioxanonane 1041.09
    1-hexene 1171.28
    2-isopropoxyethanol 808.33
    2,2,2-trifluoroethanol 248.93
    methyl butyrate 1810.28

    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