4'-Isobutylacetophenone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    38861-78-8

    Molecular formula
    C12H16O

    SMILES
    CC(C)CC1=CC=C(C=C1)C(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Herbal 73.85%
    Sweet 61.95%
    Floral 58.32%
    Spicy 55.49%
    Woody 54.72%
    Balsamic 45.73%
    Green 34.43%
    Fresh 31.52%
    Hay 31.42%
    Phenolic 30.96%

     

    Flavor
    Sweet 61.63%
    Herbal 57.57%
    Spicy 53.96%
    Woody 52.34%
    Floral 49.57%
    Spice 35.43%
    Clove 30.62%
    Fresh 30.36%
    Minty 27.58%
    Fruity 27.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.07 (weak base)

    Molecular weight
    176.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 101.93 ˚C est.

  • Synonyms

    • 4'-Isobutylacetophenone
    • 38861-78-8
    • 4-Isobutylacetophenone
    • 1-(4-Isobutylphenyl)ethanone
    • p-iso-Butylacetophenone
    • 1-[4-(2-methylpropyl)phenyl]ethanone
    • p-Isobutylacetophenone
    • Ethanone, 1-[4-(2-methylpropyl)phenyl]-
    • Acetophenone, 4-isobutyl-
    • 1-[4-(2-methylpropyl)phenyl]ethan-1-one
    • MFCD00027393
    • 4'-(2-Methylpropyl)acetophenone
    • AML715RD20
    • Ethanone, 1-(4-(2-methylpropyl)phenyl)-
    • 1-ACETYL-4-ISOBUTYLBENZENE
    • EINECS 254-159-8
    • NSC 173015
    • NSC-173015
    • P-ACETYLISOBUTYLBENZENE
    • DTXSID6068147
    • P-ISOBUTYLPHENYL METHYL KETONE
    • 4-(2-METHYLPROPYL)ACETOPHENONE
    • IBUPROFEN IMPURITY E [EP IMPURITY]
    • 1-(4-(2-Methylpropyl)phenyl)ethan-1-one
    • 1-(4-(2-METHYLPROPYL)PHENYL)ETHANONE
    • 1-(4-Isobutylphenyl)ethan-1-one
    • IBUPROFEN IMPURITY E (EP IMPURITY)
    • 4-lsobutylacetophenone
    • UNII-AML715RD20
    • Ibuprofen Imp. E (EP); Ibuprofen USP Related Compound C; Ibuprofen USP RC C; 1-[4-(2-Methylpropyl)phenyl]ethanone; Ibuprofen Related Compound C; Ibuprofen Impurity E
    • 4-iso-Butylacetophenone
    • SCHEMBL585471
    • DTXCID9039571
    • 1-(4-Isobutylphenyl)ethanone #
    • 4\'-(2-Methylpropyl)acetophenone
    • STR06927
    • NSC173015
    • STL194156
    • AKOS000120632
    • FI11279
    • PS-4197
    • PD065584
    • DB-018599
    • I0417
    • NS00030471
    • EN300-20906
    • 4 inverted exclamation mark -Isobutylacetophenone
    • Q27274010
    • F0001-1102
    • Z104484764
    • 4'-(2-Methylpropyl)acetophenone; 1-[4-(2-Methylpropyl)phenyl]ethan-1-one;1-(4-Isobutylphenyl)ethanone

  • Applications

    4'-Isobutylacetophenone (CAS 38861-78-8) is used as a fragrance ingredient and chemical intermediate in aroma chemistry. In perfumery, it provides specific odor characteristics and serves as a building block for other aroma compounds. In cosmetics and personal care, as well as household products, it may be used as a fragrance component under regulatory limits. In industrial manufacturing, it may be employed as an intermediate in the synthesis of fragrance chemicals or functional materials. In coatings and inks, it may be used as an aroma additive to impart scent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2029.97
    methanol 1889.69
    isopropanol 1579.46
    water 0.37
    ethyl acetate 2822.25
    n-propanol 1626.7
    acetone 3709.57
    n-butanol 1560.54
    acetonitrile 2555.67
    DMF 3340.05
    toluene 922.01
    isobutanol 1326.83
    1,4-dioxane 3152.66
    methyl acetate 2365.76
    THF 3540.88
    2-butanone 2558.97
    n-pentanol 1115.59
    sec-butanol 1223.62
    n-hexane 596.55
    ethylene glycol 289.98
    NMP 1946.26
    cyclohexane 340.13
    DMSO 2066.85
    n-butyl acetate 1762.79
    n-octanol 489.23
    chloroform 3890.06
    n-propyl acetate 1160.83
    acetic acid 1020.05
    dichloromethane 3358.16
    cyclohexanone 2548.47
    propylene glycol 518.65
    isopropyl acetate 1598.66
    DMAc 2052.7
    2-ethoxyethanol 1164.01
    isopentanol 1482.33
    n-heptane 137.51
    ethyl formate 973.64
    1,2-dichloroethane 2901.87
    n-hexanol 1594.87
    2-methoxyethanol 2031.09
    isobutyl acetate 757.82
    tetrachloromethane 494.16
    n-pentyl acetate 644.4
    transcutol 4878.89
    n-heptanol 453.34
    ethylbenzene 508.62
    MIBK 1287.71
    2-propoxyethanol 2047.07
    tert-butanol 2078.23
    MTBE 2784.79
    2-butoxyethanol 722.19
    propionic acid 1125.12
    o-xylene 487.8
    formic acid 255.8
    diethyl ether 3204.8
    m-xylene 666.02
    p-xylene 556.32
    chlorobenzene 1188.2
    dimethyl carbonate 693.42
    n-octane 67.76
    formamide 481.83
    cyclopentanone 2706.25
    2-pentanone 2403.67
    anisole 1039.81
    cyclopentyl methyl ether 2158.98
    gamma-butyrolactone 2304.54
    1-methoxy-2-propanol 1750.52
    pyridine 1697.73
    3-pentanone 1761.35
    furfural 1526.61
    n-dodecane 47.35
    diethylene glycol 1057.36
    diisopropyl ether 828.58
    tert-amyl alcohol 1416.98
    acetylacetone 1965.97
    n-hexadecane 56.81
    acetophenone 706.77
    methyl propionate 2034.37
    isopentyl acetate 1482.69
    trichloroethylene 4208.57
    n-nonanol 410.36
    cyclohexanol 1297.11
    benzyl alcohol 687.06
    2-ethylhexanol 766.53
    isooctanol 370.33
    dipropyl ether 1096.19
    1,2-dichlorobenzene 907.48
    ethyl lactate 398.03
    propylene carbonate 1205.82
    n-methylformamide 1350.43
    2-pentanol 1188.88
    n-pentane 289.51
    1-propoxy-2-propanol 1446.32
    1-methoxy-2-propyl acetate 1566.35
    2-(2-methoxypropoxy) propanol 718.61
    mesitylene 392.71
    ε-caprolactone 1886.36
    p-cymene 233.45
    epichlorohydrin 3243.35
    1,1,1-trichloroethane 2484.75
    2-aminoethanol 679.34
    morpholine-4-carbaldehyde 2192.99
    sulfolane 2249.15
    2,2,4-trimethylpentane 121.99
    2-methyltetrahydrofuran 2885.28
    n-hexyl acetate 1116.25
    isooctane 129.1
    2-(2-butoxyethoxy)ethanol 1146.58
    sec-butyl acetate 814.99
    tert-butyl acetate 1586.44
    decalin 193.2
    glycerin 536.58
    diglyme 1916.9
    acrylic acid 733.64
    isopropyl myristate 372.17
    n-butyric acid 1664.89
    acetyl acetate 1081.84
    di(2-ethylhexyl) phthalate 284.34
    ethyl propionate 1028.59
    nitromethane 2080.03
    1,2-diethoxyethane 1844.22
    benzonitrile 943.65
    trioctyl phosphate 217.41
    1-bromopropane 1870.1
    gamma-valerolactone 2810.21
    n-decanol 303.22
    triethyl phosphate 285.64
    4-methyl-2-pentanol 673.57
    propionitrile 1649.8
    vinylene carbonate 1018.96
    1,1,2-trichlorotrifluoroethane 1518.25
    DMS 842.82
    cumene 326.65
    2-octanol 323.86
    2-hexanone 1422.01
    octyl acetate 469.57
    limonene 420.92
    1,2-dimethoxyethane 2160.48
    ethyl orthosilicate 311.65
    tributyl phosphate 318.78
    diacetone alcohol 1406.09
    N,N-dimethylaniline 595.14
    acrylonitrile 1590.16
    aniline 1135.45
    1,3-propanediol 954.25
    bromobenzene 1287.78
    dibromomethane 2466.45
    1,1,2,2-tetrachloroethane 3400.35
    2-methyl-cyclohexyl acetate 596.43
    tetrabutyl urea 357.27
    diisobutyl methanol 360.96
    2-phenylethanol 781.06
    styrene 664.55
    dioctyl adipate 453.61
    dimethyl sulfate 812.25
    ethyl butyrate 839.6
    methyl lactate 605.53
    butyl lactate 477.13
    diethyl carbonate 474.68
    propanediol butyl ether 725.15
    triethyl orthoformate 511.71
    p-tert-butyltoluene 245.84
    methyl 4-tert-butylbenzoate 509.48
    morpholine 3589.52
    tert-butylamine 1373.63
    n-dodecanol 225.17
    dimethoxymethane 2122.96
    ethylene carbonate 952.13
    cyrene 543.29
    2-ethoxyethyl acetate 1011.45
    2-ethylhexyl acetate 1060.49
    1,2,4-trichlorobenzene 1014.34
    4-methylpyridine 2156.44
    dibutyl ether 929.51
    2,6-dimethyl-4-heptanol 360.96
    DEF 2451.15
    dimethyl isosorbide 1124.88
    tetrachloroethylene 1794.04
    eugenol 516.76
    triacetin 716.34
    span 80 622.11
    1,4-butanediol 400.44
    1,1-dichloroethane 3116.0
    2-methyl-1-pentanol 972.76
    methyl formate 952.51
    2-methyl-1-butanol 1300.01
    n-decane 89.79
    butyronitrile 1761.27
    3,7-dimethyl-1-octanol 547.34
    1-chlorooctane 434.69
    1-chlorotetradecane 147.92
    n-nonane 99.07
    undecane 63.34
    tert-butylcyclohexane 207.84
    cyclooctane 124.68
    cyclopentanol 1080.54
    tetrahydropyran 3110.25
    tert-amyl methyl ether 1567.77
    2,5,8-trioxanonane 1129.62
    1-hexene 1656.21
    2-isopropoxyethanol 927.15
    2,2,2-trifluoroethanol 333.99
    methyl butyrate 1278.45

    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