4-Phenylpentan-2-one

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  • Identifiers

    CAS number
    17913-10-9

    Molecular formula
    C11H14O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 79.74%
    Green 65.51%
    Woody 56.36%
    Sweet 54.55%
    Fruity 53.32%
    Fresh 43.39%
    Herbal 41.58%
    Balsamic 37.1%
    Spicy 31.55%
    Rose 31.13%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.84 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point est.
    102.09 ˚C

  • Synonyms

    • 4-Phenylpentan-2-one
    • 17913-10-9
    • 2-Pentanone, 4-phenyl-
    • 4-phenyl-2-pentanone
    • EINECS 241-857-2
    • 4-phenyl-pentan-2-one
    • DTXSID20939181
    • starbld0038480
    • SCHEMBL1149358
    • DTXCID001000526
    • MFCD09891028
    • AKOS006313016
    • NS00051750
    • 241-857-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1851.11
    methanol 2433.42
    isopropanol 1177.87
    water 2.57
    ethyl acetate 1488.77
    n-propanol 1432.61
    acetone 2212.88
    n-butanol 1191.23
    acetonitrile 2242.68
    DMF 1732.61
    toluene 564.0
    isobutanol 898.24
    1,4-dioxane 2760.91
    methyl acetate 1408.72
    THF 2094.16
    2-butanone 1422.66
    n-pentanol 756.38
    sec-butanol 878.67
    n-hexane 231.4
    ethylene glycol 406.11
    NMP 1239.05
    cyclohexane 230.5
    DMSO 1756.6
    n-butyl acetate 709.39
    n-octanol 302.67
    chloroform 3314.52
    n-propyl acetate 562.57
    acetic acid 988.99
    dichloromethane 2593.26
    cyclohexanone 1580.65
    propylene glycol 514.42
    isopropyl acetate 615.3
    DMAc 1073.27
    2-ethoxyethanol 762.87
    isopentanol 860.34
    n-heptane 84.79
    ethyl formate 656.6
    1,2-dichloroethane 1675.72
    n-hexanol 884.72
    2-methoxyethanol 1439.73
    isobutyl acetate 342.16
    tetrachloromethane 382.74
    n-pentyl acetate 313.14
    transcutol 2934.42
    n-heptanol 259.23
    ethylbenzene 277.38
    MIBK 487.7
    2-propoxyethanol 1128.66
    tert-butanol 1124.71
    MTBE 1046.74
    2-butoxyethanol 452.44
    propionic acid 1017.32
    o-xylene 284.68
    formic acid 335.38
    diethyl ether 1707.65
    m-xylene 330.27
    p-xylene 301.9
    chlorobenzene 774.46
    dimethyl carbonate 350.04
    n-octane 29.85
    formamide 476.57
    cyclopentanone 1522.81
    2-pentanone 1091.35
    anisole 593.93
    cyclopentyl methyl ether 1044.95
    gamma-butyrolactone 1560.78
    1-methoxy-2-propanol 981.39
    pyridine 1373.9
    3-pentanone 872.12
    furfural 1053.41
    n-dodecane 23.11
    diethylene glycol 744.6
    diisopropyl ether 294.76
    tert-amyl alcohol 735.08
    acetylacetone 874.61
    n-hexadecane 27.07
    acetophenone 423.29
    methyl propionate 1001.48
    isopentyl acetate 552.94
    trichloroethylene 2571.32
    n-nonanol 238.74
    cyclohexanol 871.38
    benzyl alcohol 448.48
    2-ethylhexanol 395.21
    isooctanol 196.14
    dipropyl ether 554.04
    1,2-dichlorobenzene 547.93
    ethyl lactate 233.93
    propylene carbonate 775.7
    n-methylformamide 929.72
    2-pentanol 641.84
    n-pentane 147.28
    1-propoxy-2-propanol 689.55
    1-methoxy-2-propyl acetate 602.43
    2-(2-methoxypropoxy) propanol 410.46
    mesitylene 177.12
    ε-caprolactone 1148.94
    p-cymene 129.3
    epichlorohydrin 1851.18
    1,1,1-trichloroethane 1365.55
    2-aminoethanol 752.04
    morpholine-4-carbaldehyde 1324.65
    sulfolane 1337.0
    2,2,4-trimethylpentane 51.91
    2-methyltetrahydrofuran 1595.27
    n-hexyl acetate 574.84
    isooctane 42.5
    2-(2-butoxyethoxy)ethanol 650.26
    sec-butyl acetate 344.2
    tert-butyl acetate 553.35
    decalin 93.28
    glycerin 513.42
    diglyme 1154.01
    acrylic acid 723.37
    isopropyl myristate 178.97
    n-butyric acid 1134.68
    acetyl acetate 560.98
    di(2-ethylhexyl) phthalate 161.97
    ethyl propionate 489.67
    nitromethane 1597.02
    1,2-diethoxyethane 853.96
    benzonitrile 617.89
    trioctyl phosphate 119.31
    1-bromopropane 1052.74
    gamma-valerolactone 1699.32
    n-decanol 168.96
    triethyl phosphate 161.64
    4-methyl-2-pentanol 296.45
    propionitrile 1299.82
    vinylene carbonate 701.78
    1,1,2-trichlorotrifluoroethane 933.4
    DMS 443.7
    cumene 172.37
    2-octanol 171.64
    2-hexanone 699.9
    octyl acetate 238.99
    limonene 222.27
    1,2-dimethoxyethane 1314.83
    ethyl orthosilicate 163.4
    tributyl phosphate 160.76
    diacetone alcohol 614.96
    N,N-dimethylaniline 321.46
    acrylonitrile 1243.95
    aniline 779.49
    1,3-propanediol 827.06
    bromobenzene 777.07
    dibromomethane 1771.25
    1,1,2,2-tetrachloroethane 2107.16
    2-methyl-cyclohexyl acetate 302.16
    tetrabutyl urea 193.74
    diisobutyl methanol 179.76
    2-phenylethanol 436.85
    styrene 371.34
    dioctyl adipate 244.99
    dimethyl sulfate 437.88
    ethyl butyrate 420.48
    methyl lactate 347.4
    butyl lactate 263.85
    diethyl carbonate 260.74
    propanediol butyl ether 454.24
    triethyl orthoformate 262.6
    p-tert-butyltoluene 127.3
    methyl 4-tert-butylbenzoate 306.0
    morpholine 2699.3
    tert-butylamine 714.18
    n-dodecanol 126.96
    dimethoxymethane 1048.35
    ethylene carbonate 652.36
    cyrene 326.33
    2-ethoxyethyl acetate 477.18
    2-ethylhexyl acetate 407.3
    1,2,4-trichlorobenzene 627.4
    4-methylpyridine 1290.93
    dibutyl ether 439.7
    2,6-dimethyl-4-heptanol 179.76
    DEF 1057.27
    dimethyl isosorbide 583.87
    tetrachloroethylene 1281.64
    eugenol 313.23
    triacetin 436.07
    span 80 364.29
    1,4-butanediol 328.06
    1,1-dichloroethane 1820.6
    2-methyl-1-pentanol 539.53
    methyl formate 686.08
    2-methyl-1-butanol 780.35
    n-decane 43.71
    butyronitrile 1157.21
    3,7-dimethyl-1-octanol 276.66
    1-chlorooctane 219.24
    1-chlorotetradecane 72.45
    n-nonane 46.89
    undecane 30.44
    tert-butylcyclohexane 88.7
    cyclooctane 65.87
    cyclopentanol 758.75
    tetrahydropyran 2227.32
    tert-amyl methyl ether 603.36
    2,5,8-trioxanonane 663.98
    1-hexene 756.69
    2-isopropoxyethanol 508.54
    2,2,2-trifluoroethanol 303.34
    methyl butyrate 637.82

    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