4-Methyl-1-phenyl-2-pentanone

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  • Identifiers

    CAS number
    5349-62-2

    Molecular formula
    C12H16O

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 82.53%
    Sweet 75.61%
    Woody 50.38%
    Spicy 47.85%
    Floral 42.04%
    Balsamic 41.04%
    Caramellic 40.09%
    Berry 38.74%
    Herbal 38.44%
    Honey 38.38%

     

    Flavor
    Sweet 63.74%
    Green 57.45%
    Fruity 49.68%
    Floral 47.53%
    Herbal 33.84%
    Honey 33.54%
    Waxy 31.32%
    Fresh 30.66%
    Rose 30.26%
    Chocolate 29.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.34 (weak base)

    Molecular weight
    176.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 250.00 to 251.00 °C. @ 760.00 mm Hg

    Flash point

    • 103.53 ˚C est.

    Solubility expt.

    • very slightly
    • insoluble in water, soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 4-Methyl-1-phenylpentan-2-one
    • 4-Methyl-1-phenyl-2-pentanone
    • 5349-62-2
    • Benzyl isobutyl ketone
    • Isobutyl benzyl ketone
    • 2-Pentanone, 4-methyl-1-phenyl-
    • spicy pentanone
    • FEMA No. 2740
    • UNII-2Z1A62342T
    • NSC 1268
    • NSC-1268
    • EINECS 226-316-0
    • 2Z1A62342T
    • AI3-11065
    • DTXSID1063805
    • DTYGTEGDVPAKDA-UHFFFAOYSA-
    • 4-METHYL-1-PHENYL-2-PENTANONE [FHFI]
    • 4-methyl-1-phenyl-pentan-2-one
    • Isopropylphenylacetone
    • SCHEMBL106992
    • DTXCID4041446
    • FEMA 2740
    • NSC1268
    • CHEBI:169560
    • MFCD00015639
    • AKOS010016656
    • CS-W022210
    • DS-3984
    • HY-W041470
    • PD158379
    • DB-003504
    • NS00021197
    • 4-Methyl-1-phenyl-2-pentanone, >=95%, FG
    • D71255
    • A829628
    • Q27255819

  • Applications

    4-Methyl-1-phenyl-2-pentanone (CAS 5349-62-2) is an aromatic ketone with a soft sweet odour used mainly as a fragrance ingredient in fine perfumery, personal-care cosmetics, laundry detergents and deodorants for its magnolia-like, slightly nutty warmth; it also functions as an intermediate for the synthesis of long-chain alcohols, aldehydes and esters that strengthen jasmine-citrus-woody accords, a promoter in Grignard reactions for β-lactam drug manufacture, a research precursor to phenethylamine derivatives in neurochemistry, a caramel-fruity flavour contributor in premium animal feed, and a specialty solvent for alkyd resins, polyurethanes and printing inks where high solvency coupled with slow evaporation is needed to produce level, tack-free coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1500.01
    methanol 1828.11
    isopropanol 1090.58
    water 1.69
    ethyl acetate 774.96
    n-propanol 1024.13
    acetone 1475.27
    n-butanol 1031.63
    acetonitrile 1031.25
    DMF 1544.87
    toluene 324.95
    isobutanol 789.67
    1,4-dioxane 1718.96
    methyl acetate 631.41
    THF 1771.55
    2-butanone 797.5
    n-pentanol 655.75
    sec-butanol 665.66
    n-hexane 282.34
    ethylene glycol 285.66
    NMP 1007.49
    cyclohexane 345.61
    DMSO 1124.27
    n-butyl acetate 783.33
    n-octanol 302.02
    chloroform 2426.74
    n-propyl acetate 451.01
    acetic acid 1236.32
    dichloromethane 1537.58
    cyclohexanone 1445.58
    propylene glycol 431.05
    isopropyl acetate 490.07
    DMAc 904.96
    2-ethoxyethanol 563.78
    isopentanol 794.08
    n-heptane 137.51
    ethyl formate 540.9
    1,2-dichloroethane 1135.84
    n-hexanol 962.32
    2-methoxyethanol 1205.92
    isobutyl acetate 328.7
    tetrachloromethane 254.76
    n-pentyl acetate 291.87
    transcutol 2328.09
    n-heptanol 276.9
    ethylbenzene 218.27
    MIBK 476.73
    2-propoxyethanol 1127.35
    tert-butanol 1001.25
    MTBE 696.19
    2-butoxyethanol 447.97
    propionic acid 737.32
    o-xylene 198.25
    formic acid 337.45
    diethyl ether 973.11
    m-xylene 221.17
    p-xylene 275.23
    chlorobenzene 553.82
    dimethyl carbonate 249.0
    n-octane 42.04
    formamide 360.61
    cyclopentanone 1160.16
    2-pentanone 797.74
    anisole 458.39
    cyclopentyl methyl ether 784.41
    gamma-butyrolactone 1160.72
    1-methoxy-2-propanol 853.38
    pyridine 1005.0
    3-pentanone 512.9
    furfural 982.06
    n-dodecane 31.71
    diethylene glycol 723.77
    diisopropyl ether 256.09
    tert-amyl alcohol 598.46
    acetylacetone 696.74
    n-hexadecane 36.72
    acetophenone 378.76
    methyl propionate 521.16
    isopentyl acetate 651.72
    trichloroethylene 1918.54
    n-nonanol 250.33
    cyclohexanol 803.31
    benzyl alcohol 396.39
    2-ethylhexanol 447.48
    isooctanol 213.89
    dipropyl ether 570.5
    1,2-dichlorobenzene 499.84
    ethyl lactate 227.27
    propylene carbonate 750.38
    n-methylformamide 652.71
    2-pentanol 612.35
    n-pentane 184.01
    1-propoxy-2-propanol 746.43
    1-methoxy-2-propyl acetate 593.02
    2-(2-methoxypropoxy) propanol 447.24
    mesitylene 157.79
    ε-caprolactone 914.5
    p-cymene 143.78
    epichlorohydrin 1283.3
    1,1,1-trichloroethane 963.41
    2-aminoethanol 574.99
    morpholine-4-carbaldehyde 1110.75
    sulfolane 1049.62
    2,2,4-trimethylpentane 60.02
    2-methyltetrahydrofuran 1078.82
    n-hexyl acetate 510.83
    isooctane 56.72
    2-(2-butoxyethoxy)ethanol 661.2
    sec-butyl acetate 306.44
    tert-butyl acetate 504.84
    decalin 110.35
    glycerin 474.69
    diglyme 1132.49
    acrylic acid 623.42
    isopropyl myristate 198.95
    n-butyric acid 1170.49
    acetyl acetate 478.74
    di(2-ethylhexyl) phthalate 197.32
    ethyl propionate 347.45
    nitromethane 1185.58
    1,2-diethoxyethane 679.62
    benzonitrile 536.18
    trioctyl phosphate 141.12
    1-bromopropane 696.01
    gamma-valerolactone 1481.46
    n-decanol 180.35
    triethyl phosphate 187.78
    4-methyl-2-pentanol 310.8
    propionitrile 675.64
    vinylene carbonate 685.51
    1,1,2-trichlorotrifluoroethane 933.46
    DMS 389.11
    cumene 155.8
    2-octanol 174.05
    2-hexanone 577.64
    octyl acetate 258.34
    limonene 250.13
    1,2-dimethoxyethane 1200.6
    ethyl orthosilicate 187.91
    tributyl phosphate 193.62
    diacetone alcohol 566.83
    N,N-dimethylaniline 287.36
    acrylonitrile 697.61
    aniline 471.31
    1,3-propanediol 760.82
    bromobenzene 536.69
    dibromomethane 1138.64
    1,1,2,2-tetrachloroethane 1717.36
    2-methyl-cyclohexyl acetate 353.72
    tetrabutyl urea 235.12
    diisobutyl methanol 234.22
    2-phenylethanol 457.27
    styrene 291.06
    dioctyl adipate 295.73
    dimethyl sulfate 317.77
    ethyl butyrate 433.34
    methyl lactate 299.24
    butyl lactate 290.25
    diethyl carbonate 293.99
    propanediol butyl ether 480.87
    triethyl orthoformate 302.55
    p-tert-butyltoluene 139.97
    methyl 4-tert-butylbenzoate 315.3
    morpholine 1843.82
    tert-butylamine 705.63
    n-dodecanol 140.71
    dimethoxymethane 794.19
    ethylene carbonate 609.17
    cyrene 330.32
    2-ethoxyethyl acetate 407.02
    2-ethylhexyl acetate 457.36
    1,2,4-trichlorobenzene 548.28
    4-methylpyridine 868.77
    dibutyl ether 442.88
    2,6-dimethyl-4-heptanol 234.22
    DEF 753.09
    dimethyl isosorbide 652.28
    tetrachloroethylene 1025.91
    eugenol 330.37
    triacetin 426.41
    span 80 428.84
    1,4-butanediol 301.84
    1,1-dichloroethane 1089.4
    2-methyl-1-pentanol 506.53
    methyl formate 510.62
    2-methyl-1-butanol 647.03
    n-decane 56.21
    butyronitrile 886.45
    3,7-dimethyl-1-octanol 298.48
    1-chlorooctane 226.6
    1-chlorotetradecane 87.81
    n-nonane 61.42
    undecane 40.16
    tert-butylcyclohexane 99.04
    cyclooctane 92.74
    cyclopentanol 673.99
    tetrahydropyran 1607.44
    tert-amyl methyl ether 430.98
    2,5,8-trioxanonane 708.53
    1-hexene 667.71
    2-isopropoxyethanol 408.73
    2,2,2-trifluoroethanol 337.56
    methyl butyrate 537.0

    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