1-Hexen-3-one, 2,5-dimethyl-5-phenyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    61550-56-9

    Molecular formula
    C14H18O

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

  • Odor profile

    Fragrance
    Floral 75.82%
    Woody 60.53%
    Fruity 51.54%
    Rose 46.18%
    Dry 42.14%
    Sweet 41.1%
    Powdery 38.47%
    Orris 35.0%
    Berry 34.91%
    Honey 34.66%

     

    Flavor
    Herbal 46.82%
    Green 33.95%
    Woody 32.45%
    Herb 26.73%
    Bergamot 23.96%
    Fruity 22.13%
    Heather 21.75%
    Minty 21.51%
    Genet 21.37%
    Broom 21.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.79 (neutral)

    Molecular weight
    202.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point

    • 116.99 ˚C est.

  • Synonyms

    • 1-Hexen-3-one, 2,5-dimethyl-5-phenyl-
    • 61550-56-9
    • DTXSID30210539
    • SCHEMBL1404274
    • DTXCID10133030
    • XYDMLNRJJZVUKP-UHFFFAOYSA-N

  • Applications

    1-Hexen-3-one, 2,5-dimethyl-5-phenyl- (CAS 61550-56-9) is commonly evaluated as a fragrance ingredient and odorant, contributing distinctive notes for perfumery and cosmetic formulations. It can serve as a building block or intermediate in the synthesis of specialty aroma compounds. It may be used as a fragrance additive in household products, cleaners, coatings and inks, and other consumer products to impart a specific scent profile. It is also considered as an intermediate in industrial manufacturing and polymer/plastics formulations where odorant components are required. Its use is subject to local regulations and formulation limits, and it should be evaluated for material compatibility and product safety requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 676.54
    methanol 540.26
    isopropanol 730.06
    water 1.05
    ethyl acetate 1506.99
    n-propanol 754.38
    acetone 1328.78
    n-butanol 755.13
    acetonitrile 1033.99
    DMF 1857.84
    toluene 762.85
    isobutanol 660.48
    1,4-dioxane 1771.29
    methyl acetate 1339.15
    THF 1997.56
    2-butanone 1628.05
    n-pentanol 545.11
    sec-butanol 763.14
    n-hexane 278.84
    ethylene glycol 90.34
    NMP 944.02
    cyclohexane 253.26
    DMSO 567.18
    n-butyl acetate 1073.43
    n-octanol 393.83
    chloroform 2529.36
    n-propyl acetate 821.99
    acetic acid 419.23
    dichloromethane 1963.55
    cyclohexanone 1676.51
    propylene glycol 202.47
    isopropyl acetate 951.49
    DMAc 1410.55
    2-ethoxyethanol 626.48
    isopentanol 733.8
    n-heptane 110.89
    ethyl formate 728.7
    1,2-dichloroethane 1505.04
    n-hexanol 880.61
    2-methoxyethanol 862.55
    isobutyl acetate 611.58
    tetrachloromethane 349.66
    n-pentyl acetate 470.3
    transcutol 1816.06
    n-heptanol 373.65
    ethylbenzene 588.58
    MIBK 788.99
    2-propoxyethanol 1026.26
    tert-butanol 1001.84
    MTBE 1302.2
    2-butoxyethanol 547.87
    propionic acid 549.04
    o-xylene 501.34
    formic acid 111.29
    diethyl ether 1347.39
    m-xylene 571.78
    p-xylene 678.48
    chlorobenzene 826.8
    dimethyl carbonate 485.24
    n-octane 61.87
    formamide 220.52
    cyclopentanone 1618.19
    2-pentanone 1274.43
    anisole 997.02
    cyclopentyl methyl ether 1074.89
    gamma-butyrolactone 1492.92
    1-methoxy-2-propanol 901.47
    pyridine 1154.54
    3-pentanone 1068.83
    furfural 1130.97
    n-dodecane 41.13
    diethylene glycol 495.12
    diisopropyl ether 466.7
    tert-amyl alcohol 888.63
    acetylacetone 1042.35
    n-hexadecane 48.12
    acetophenone 755.53
    methyl propionate 1060.67
    isopentyl acetate 963.46
    trichloroethylene 2507.67
    n-nonanol 336.84
    cyclohexanol 716.98
    benzyl alcohol 552.89
    2-ethylhexanol 522.72
    isooctanol 326.59
    dipropyl ether 654.51
    1,2-dichlorobenzene 755.72
    ethyl lactate 333.79
    propylene carbonate 974.03
    n-methylformamide 621.48
    2-pentanol 675.99
    n-pentane 155.83
    1-propoxy-2-propanol 824.84
    1-methoxy-2-propyl acetate 882.46
    2-(2-methoxypropoxy) propanol 481.76
    mesitylene 358.82
    ε-caprolactone 1282.79
    p-cymene 252.42
    epichlorohydrin 1785.12
    1,1,1-trichloroethane 1540.86
    2-aminoethanol 256.96
    morpholine-4-carbaldehyde 1256.26
    sulfolane 1092.11
    2,2,4-trimethylpentane 84.14
    2-methyltetrahydrofuran 1554.7
    n-hexyl acetate 783.51
    isooctane 77.59
    2-(2-butoxyethoxy)ethanol 685.25
    sec-butyl acetate 681.03
    tert-butyl acetate 964.34
    decalin 156.87
    glycerin 236.51
    diglyme 1240.32
    acrylic acid 386.77
    isopropyl myristate 313.06
    n-butyric acid 892.95
    acetyl acetate 730.42
    di(2-ethylhexyl) phthalate 229.23
    ethyl propionate 791.46
    nitromethane 994.64
    1,2-diethoxyethane 883.9
    benzonitrile 676.8
    trioctyl phosphate 169.87
    1-bromopropane 1028.55
    gamma-valerolactone 1712.84
    n-decanol 246.4
    triethyl phosphate 256.93
    4-methyl-2-pentanol 445.5
    propionitrile 1000.27
    vinylene carbonate 881.06
    1,1,2-trichlorotrifluoroethane 830.88
    DMS 623.42
    cumene 372.89
    2-octanol 289.98
    2-hexanone 900.0
    octyl acetate 371.58
    limonene 364.71
    1,2-dimethoxyethane 1353.68
    ethyl orthosilicate 260.98
    tributyl phosphate 226.73
    diacetone alcohol 808.19
    N,N-dimethylaniline 604.38
    acrylonitrile 972.31
    aniline 674.22
    1,3-propanediol 432.9
    bromobenzene 886.52
    dibromomethane 1305.09
    1,1,2,2-tetrachloroethane 2120.34
    2-methyl-cyclohexyl acetate 501.98
    tetrabutyl urea 275.06
    diisobutyl methanol 274.24
    2-phenylethanol 627.62
    styrene 652.37
    dioctyl adipate 367.98
    dimethyl sulfate 524.78
    ethyl butyrate 714.88
    methyl lactate 394.53
    butyl lactate 355.93
    diethyl carbonate 445.14
    propanediol butyl ether 432.03
    triethyl orthoformate 417.53
    p-tert-butyltoluene 254.81
    methyl 4-tert-butylbenzoate 517.24
    morpholine 1715.31
    tert-butylamine 693.04
    n-dodecanol 187.04
    dimethoxymethane 1041.42
    ethylene carbonate 770.62
    cyrene 430.55
    2-ethoxyethyl acetate 607.71
    2-ethylhexyl acetate 712.98
    1,2,4-trichlorobenzene 821.24
    4-methylpyridine 1394.14
    dibutyl ether 585.53
    2,6-dimethyl-4-heptanol 274.24
    DEF 1204.01
    dimethyl isosorbide 773.78
    tetrachloroethylene 1191.11
    eugenol 480.63
    triacetin 556.09
    span 80 419.45
    1,4-butanediol 202.04
    1,1-dichloroethane 1695.08
    2-methyl-1-pentanol 576.44
    methyl formate 545.37
    2-methyl-1-butanol 708.31
    n-decane 77.51
    butyronitrile 1000.69
    3,7-dimethyl-1-octanol 387.82
    1-chlorooctane 323.31
    1-chlorotetradecane 116.71
    n-nonane 80.6
    undecane 54.32
    tert-butylcyclohexane 155.54
    cyclooctane 92.38
    cyclopentanol 638.73
    tetrahydropyran 1791.26
    tert-amyl methyl ether 916.92
    2,5,8-trioxanonane 712.39
    1-hexene 808.83
    2-isopropoxyethanol 546.72
    2,2,2-trifluoroethanol 194.77
    methyl butyrate 1021.62

    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