Butyrophenone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    495-40-9

    Molecular formula
    C10H12O

    SMILES
    CCCC(=O)C1=CC=CC=C1

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fruity 74.86%
    Sweet 68.76%
    Floral 62.74%
    Balsamic 50.79%
    Cherry 50.0%
    Vanilla 41.09%
    Herbal 39.23%
    Berry 38.67%
    Hay 37.37%
    Nutty 36.94%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Flash point est.
    87.75 ˚C

  • Synonyms

    • BUTYROPHENONE
    • 1-phenylbutan-1-one
    • 495-40-9
    • n-Butyrophenone
    • 1-Butanone, 1-phenyl-
    • Phenyl propyl ketone
    • 1-Phenyl-1-butanone
    • Propyl phenyl ketone
    • 1-Phenyl-butan-1-one
    • UNII-186I11WB5B
    • DTXSID3047059
    • 186I11WB5B
    • NSC 8463
    • NSC-8463
    • EINECS 207-799-7
    • MFCD00009397
    • AI3-02062
    • DTXCID1027059
    • Butyrophenone, >=99%
    • Butyrophenone; 1-Phenylbutan-1-one; n-Butyrophenone
    • nButyrophenone
    • N-Butanophenone
    • propylphenylketone
    • 1Phenyl1butanone
    • 1Phenylbutan1one
    • 1Butanone, 1phenyl
    • 3-methylpropiophenone
    • Phenyl n-propyl ketone
    • p-nitroaniline-Butyrophenone
    • SCHEMBL82532
    • PHENYL-N-PROPYL KETONE
    • CHEMBL193524
    • NSC8463
    • Butyrophenone, analytical standard
    • Tox21_302345
    • BBL027757
    • STL373490
    • AKOS000120282
    • CS-W010981
    • FP66953
    • HY-W010265
    • PS-5615
    • NCGC00256194-01
    • CAS-495-40-9
    • SY011586
    • B0769
    • NS00012073
    • EN300-20322
    • F81498
    • Q421344
    • F0001-1286
    • Z104477742
    • 207-799-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2571.03
    methanol 2727.92
    isopropanol 2066.17
    water 6.65
    ethyl acetate 2008.39
    n-propanol 2121.52
    acetone 3925.45
    n-butanol 2054.25
    acetonitrile 4514.82
    DMF 5181.67
    toluene 985.12
    isobutanol 1753.81
    1,4-dioxane 2879.13
    methyl acetate 2051.06
    THF 2641.56
    2-butanone 2623.35
    n-pentanol 1317.3
    sec-butanol 1580.73
    n-hexane 474.74
    ethylene glycol 453.25
    NMP 3036.94
    cyclohexane 664.32
    DMSO 3026.13
    n-butyl acetate 2108.62
    n-octanol 1161.23
    chloroform 8952.25
    n-propyl acetate 1514.34
    acetic acid 2433.4
    dichloromethane 8212.4
    cyclohexanone 4038.67
    propylene glycol 504.87
    isopropyl acetate 1033.31
    DMAc 2413.68
    2-ethoxyethanol 1095.45
    isopentanol 1518.59
    n-heptane 301.48
    ethyl formate 2102.22
    1,2-dichloroethane 4772.55
    n-hexanol 1523.18
    2-methoxyethanol 2049.73
    isobutyl acetate 814.59
    tetrachloromethane 1070.83
    n-pentyl acetate 1114.32
    transcutol 3671.99
    n-heptanol 798.36
    ethylbenzene 723.7
    MIBK 1061.02
    2-propoxyethanol 1506.06
    tert-butanol 1782.55
    MTBE 1316.7
    2-butoxyethanol 1015.87
    propionic acid 1839.1
    o-xylene 574.02
    formic acid 555.73
    diethyl ether 1787.01
    m-xylene 616.51
    p-xylene 899.13
    chlorobenzene 2364.02
    dimethyl carbonate 815.91
    n-octane 172.81
    formamide 1235.64
    cyclopentanone 3413.3
    2-pentanone 2115.1
    anisole 1313.68
    cyclopentyl methyl ether 1390.71
    gamma-butyrolactone 3574.5
    1-methoxy-2-propanol 1392.25
    pyridine 3699.94
    3-pentanone 1505.29
    furfural 2871.6
    n-dodecane 141.53
    diethylene glycol 942.52
    diisopropyl ether 459.82
    tert-amyl alcohol 1336.53
    acetylacetone 1636.28
    n-hexadecane 161.02
    acetophenone 1218.77
    methyl propionate 1579.98
    isopentyl acetate 1449.44
    trichloroethylene 8332.1
    n-nonanol 873.21
    cyclohexanol 1672.98
    benzyl alcohol 989.52
    2-ethylhexanol 883.74
    isooctanol 620.42
    dipropyl ether 1061.87
    1,2-dichlorobenzene 1908.59
    ethyl lactate 607.19
    propylene carbonate 2239.7
    n-methylformamide 2683.05
    2-pentanol 1256.96
    n-pentane 367.14
    1-propoxy-2-propanol 1170.84
    1-methoxy-2-propyl acetate 1070.51
    2-(2-methoxypropoxy) propanol 755.74
    mesitylene 424.78
    ε-caprolactone 2697.96
    p-cymene 391.34
    epichlorohydrin 3602.01
    1,1,1-trichloroethane 3589.93
    2-aminoethanol 915.92
    morpholine-4-carbaldehyde 2389.16
    sulfolane 3302.33
    2,2,4-trimethylpentane 135.08
    2-methyltetrahydrofuran 2154.71
    n-hexyl acetate 1739.45
    isooctane 126.16
    2-(2-butoxyethoxy)ethanol 1180.88
    sec-butyl acetate 764.11
    tert-butyl acetate 927.2
    decalin 262.97
    glycerin 597.26
    diglyme 2155.01
    acrylic acid 1689.01
    isopropyl myristate 591.65
    n-butyric acid 2616.55
    acetyl acetate 1074.89
    di(2-ethylhexyl) phthalate 396.19
    ethyl propionate 1157.46
    nitromethane 4129.94
    1,2-diethoxyethane 1564.13
    benzonitrile 2195.74
    trioctyl phosphate 371.69
    1-bromopropane 2643.18
    gamma-valerolactone 3380.35
    n-decanol 624.61
    triethyl phosphate 449.21
    4-methyl-2-pentanol 563.83
    propionitrile 2954.13
    vinylene carbonate 2202.12
    1,1,2-trichlorotrifluoroethane 2032.8
    DMS 1005.37
    cumene 465.15
    2-octanol 685.63
    2-hexanone 1605.05
    octyl acetate 792.57
    limonene 597.02
    1,2-dimethoxyethane 2373.03
    ethyl orthosilicate 423.94
    tributyl phosphate 473.98
    diacetone alcohol 977.06
    N,N-dimethylaniline 782.19
    acrylonitrile 3587.76
    aniline 1306.12
    1,3-propanediol 1315.07
    bromobenzene 2556.04
    dibromomethane 5345.7
    1,1,2,2-tetrachloroethane 5764.15
    2-methyl-cyclohexyl acetate 687.57
    tetrabutyl urea 654.8
    diisobutyl methanol 463.84
    2-phenylethanol 895.74
    styrene 1147.1
    dioctyl adipate 741.91
    dimethyl sulfate 1032.53
    ethyl butyrate 1295.3
    methyl lactate 679.42
    butyl lactate 789.34
    diethyl carbonate 896.38
    propanediol butyl ether 1061.0
    triethyl orthoformate 709.06
    p-tert-butyltoluene 355.34
    methyl 4-tert-butylbenzoate 823.46
    morpholine 3026.21
    tert-butylamine 1299.37
    n-dodecanol 470.18
    dimethoxymethane 1791.83
    ethylene carbonate 1882.22
    cyrene 598.16
    2-ethoxyethyl acetate 1124.34
    2-ethylhexyl acetate 1058.19
    1,2,4-trichlorobenzene 1858.02
    4-methylpyridine 3314.53
    dibutyl ether 1309.54
    2,6-dimethyl-4-heptanol 463.84
    DEF 2465.17
    dimethyl isosorbide 1109.01
    tetrachloroethylene 3626.02
    eugenol 827.1
    triacetin 1060.54
    span 80 769.82
    1,4-butanediol 568.48
    1,1-dichloroethane 4844.27
    2-methyl-1-pentanol 994.12
    methyl formate 2096.48
    2-methyl-1-butanol 1443.08
    n-decane 242.53
    butyronitrile 3312.94
    3,7-dimethyl-1-octanol 778.37
    1-chlorooctane 924.03
    1-chlorotetradecane 330.54
    n-nonane 263.8
    undecane 177.17
    tert-butylcyclohexane 230.56
    cyclooctane 186.23
    cyclopentanol 1658.61
    tetrahydropyran 2983.49
    tert-amyl methyl ether 861.42
    2,5,8-trioxanonane 1266.8
    1-hexene 1368.37
    2-isopropoxyethanol 761.35
    2,2,2-trifluoroethanol 715.59
    methyl butyrate 1919.57

    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

Botanical

Name CAS Botanical Proportion
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.19%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.05%