5-Phenylpentan-2-one

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  • Identifiers

    CAS number
    2235-83-8

    Molecular formula
    C11H14O

    SMILES
    CC(=O)CCCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Floral 78.74%
    Fruity 57.97%
    Green 51.7%
    Sweet 48.47%
    Balsamic 42.03%
    Fresh 38.55%
    Jasmin 37.59%
    Woody 37.48%
    Rose 37.34%
    Honey 33.65%

     

    Flavor
    Sweet 74.25%
    Floral 56.72%
    Rose 52.36%
    Fruity 50.67%
    Spicy 47.51%
    Balsam 42.34%
    Honey 42.27%
    Green 39.65%
    Fresh 37.6%
    Bitter 35.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.93 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 108.32 ˚C est.

  • Synonyms

    • 5-Phenylpentan-2-one
    • 2235-83-8
    • 2-Pentanone, 5-phenyl-
    • 5-PHENYL-2-PENTANONE
    • Methyl 3-phenylpropyl ketone
    • MFCD01024555
    • RJ8YU7ZU4E
    • AI3-11039
    • NSC-167086
    • EINECS 218-794-4
    • NSC167086
    • 5-Phenyl-pentan-2-one
    • UNII-RJ8YU7ZU4E
    • SCHEMBL110777
    • DTXSID10176886
    • AKOS011914312
    • NSC 167086
    • MS-22895
    • PD171230
    • SY284211
    • DB-242671
    • HY-145613
    • CS-0376741
    • NS00027148
    • F71721
    • A1-08245

  • Applications

    5-Phenylpentan-2-one (CAS 2235-83-8) is an aliphatic ketone bearing a phenyl group and is primarily used as an odorant ingredient and as an intermediate in chemical synthesis. In perfumery and fragrance applications, it is evaluated as an odorant component that can be incorporated into perfume formulas and scent products. In cosmetics and personal care, it may serve as a fragrance ingredient or aroma-enhancing material. In household and cleaning products, it may be used as a fragrance additive for air fresheners, detergents, and scented cleaners. In industrial manufacturing and specialty chemical applications, it can function as an intermediate for the synthesis of fragrance-related compounds or other specialty chemicals, and may be evaluated for use in coatings/inks or polymer formulations to impart or modify odor. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1472.05
    methanol 1858.15
    isopropanol 803.1
    water 1.47
    ethyl acetate 1559.99
    n-propanol 951.48
    acetone 1890.92
    n-butanol 801.29
    acetonitrile 1583.64
    DMF 1342.44
    toluene 433.61
    isobutanol 543.64
    1,4-dioxane 2561.63
    methyl acetate 1223.47
    THF 1475.23
    2-butanone 1182.77
    n-pentanol 654.37
    sec-butanol 606.74
    n-hexane 173.7
    ethylene glycol 331.21
    NMP 862.37
    cyclohexane 138.39
    DMSO 1925.73
    n-butyl acetate 789.77
    n-octanol 187.38
    chloroform 2886.58
    n-propyl acetate 688.76
    acetic acid 1211.65
    dichloromethane 2296.9
    cyclohexanone 1228.5
    propylene glycol 436.53
    isopropyl acetate 678.09
    DMAc 1131.55
    2-ethoxyethanol 998.78
    isopentanol 622.29
    n-heptane 62.34
    ethyl formate 520.67
    1,2-dichloroethane 1628.99
    n-hexanol 588.53
    2-methoxyethanol 1372.39
    isobutyl acetate 400.98
    tetrachloromethane 285.63
    n-pentyl acetate 297.42
    transcutol 4812.96
    n-heptanol 186.08
    ethylbenzene 229.84
    MIBK 444.74
    2-propoxyethanol 1004.82
    tert-butanol 862.87
    MTBE 922.78
    2-butoxyethanol 398.87
    propionic acid 898.24
    o-xylene 229.25
    formic acid 430.82
    diethyl ether 1667.44
    m-xylene 246.57
    p-xylene 254.53
    chlorobenzene 628.67
    dimethyl carbonate 324.24
    n-octane 18.12
    formamide 613.45
    cyclopentanone 1080.82
    2-pentanone 905.82
    anisole 610.57
    cyclopentyl methyl ether 792.14
    gamma-butyrolactone 1209.28
    1-methoxy-2-propanol 839.89
    pyridine 1366.58
    3-pentanone 772.67
    furfural 1000.61
    n-dodecane 13.9
    diethylene glycol 755.35
    diisopropyl ether 287.51
    tert-amyl alcohol 644.73
    acetylacetone 964.19
    n-hexadecane 16.5
    acetophenone 426.69
    methyl propionate 922.03
    isopentyl acetate 627.85
    trichloroethylene 2600.51
    n-nonanol 165.97
    cyclohexanol 588.02
    benzyl alcohol 405.87
    2-ethylhexanol 334.6
    isooctanol 152.05
    dipropyl ether 613.89
    1,2-dichlorobenzene 508.74
    ethyl lactate 249.8
    propylene carbonate 638.29
    n-methylformamide 726.38
    2-pentanol 463.17
    n-pentane 82.11
    1-propoxy-2-propanol 675.04
    1-methoxy-2-propyl acetate 750.42
    2-(2-methoxypropoxy) propanol 505.29
    mesitylene 148.7
    ε-caprolactone 981.59
    p-cymene 114.87
    epichlorohydrin 1641.48
    1,1,1-trichloroethane 1156.67
    2-aminoethanol 648.9
    morpholine-4-carbaldehyde 1310.06
    sulfolane 1221.73
    2,2,4-trimethylpentane 41.56
    2-methyltetrahydrofuran 1190.71
    n-hexyl acetate 473.49
    isooctane 31.96
    2-(2-butoxyethoxy)ethanol 792.43
    sec-butyl acetate 424.35
    tert-butyl acetate 667.47
    decalin 82.78
    glycerin 511.11
    diglyme 1473.42
    acrylic acid 672.86
    isopropyl myristate 166.01
    n-butyric acid 1008.28
    acetyl acetate 696.28
    di(2-ethylhexyl) phthalate 160.68
    ethyl propionate 578.66
    nitromethane 1767.53
    1,2-diethoxyethane 1323.66
    benzonitrile 557.8
    trioctyl phosphate 99.92
    1-bromopropane 903.25
    gamma-valerolactone 1439.25
    n-decanol 117.29
    triethyl phosphate 203.09
    4-methyl-2-pentanol 235.34
    propionitrile 838.89
    vinylene carbonate 609.95
    1,1,2-trichlorotrifluoroethane 1076.21
    DMS 514.29
    cumene 147.46
    2-octanol 107.85
    2-hexanone 679.79
    octyl acetate 199.14
    limonene 194.1
    1,2-dimethoxyethane 1447.32
    ethyl orthosilicate 211.89
    tributyl phosphate 171.05
    diacetone alcohol 620.71
    N,N-dimethylaniline 329.66
    acrylonitrile 929.98
    aniline 649.94
    1,3-propanediol 710.52
    bromobenzene 653.16
    dibromomethane 1534.93
    1,1,2,2-tetrachloroethane 2104.43
    2-methyl-cyclohexyl acetate 331.38
    tetrabutyl urea 196.5
    diisobutyl methanol 173.4
    2-phenylethanol 390.6
    styrene 360.12
    dioctyl adipate 267.14
    dimethyl sulfate 431.19
    ethyl butyrate 513.91
    methyl lactate 328.57
    butyl lactate 269.56
    diethyl carbonate 331.65
    propanediol butyl ether 442.78
    triethyl orthoformate 352.35
    p-tert-butyltoluene 111.7
    methyl 4-tert-butylbenzoate 299.02
    morpholine 2478.7
    tert-butylamine 539.78
    n-dodecanol 87.47
    dimethoxymethane 898.54
    ethylene carbonate 563.32
    cyrene 350.85
    2-ethoxyethyl acetate 569.25
    2-ethylhexyl acetate 478.71
    1,2,4-trichlorobenzene 603.38
    4-methylpyridine 1077.11
    dibutyl ether 455.93
    2,6-dimethyl-4-heptanol 173.4
    DEF 1008.12
    dimethyl isosorbide 680.99
    tetrachloroethylene 1297.83
    eugenol 320.66
    triacetin 537.84
    span 80 383.08
    1,4-butanediol 322.31
    1,1-dichloroethane 1439.49
    2-methyl-1-pentanol 498.54
    methyl formate 480.09
    2-methyl-1-butanol 561.5
    n-decane 26.26
    butyronitrile 773.16
    3,7-dimethyl-1-octanol 242.06
    1-chlorooctane 148.64
    1-chlorotetradecane 50.95
    n-nonane 26.5
    undecane 18.17
    tert-butylcyclohexane 75.99
    cyclooctane 44.8
    cyclopentanol 450.52
    tetrahydropyran 1719.0
    tert-amyl methyl ether 616.41
    2,5,8-trioxanonane 906.31
    1-hexene 606.19
    2-isopropoxyethanol 637.59
    2,2,2-trifluoroethanol 291.71
    methyl butyrate 695.68

    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