5-Octen-4-one, 2,7-dimethyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68419-46-5

    Molecular formula
    C10H18O

    SMILES
    CC(C)CC(=O)/C=C/C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 86.11%
    Herbal 67.47%
    Sweet 44.73%
    Mint 40.45%
    Ketonic 40.24%
    Apple 33.84%
    Green 32.84%
    Oily 30.42%
    Spicy 30.37%
    Woody 30.17%

     

    Flavor
    Fruity 51.43%
    Green 33.96%
    Berry 32.03%
    Herbal 32.0%
    Sweet 27.85%
    Tropical 26.14%
    Spicy 20.42%
    Herb 20.05%
    Filbert 19.82%
    Light 19.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.86 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point

    • 63.02 ˚C est.

  • Synonyms

    • 2,7-Dimethyloct-5-en-4-one
    • (E)-2,7-dimethyloct-5-en-4-one
    • 2,7-Dimethyl-5-octen-4-one
    • 2,7-Dimethyl-oct-5-en-4-one
    • 68419-46-5
    • 5L2NZP42Y7
    • EINECS 270-267-8
    • (5E)-2,7-dimethyloct-5-en-4-one
    • 5-Octen-4-one, 2,7-dimethyl-
    • NSC 29896
    • NSC-29896
    • 2,7-DIMETHYL-3-OCTEN-5-ONE
    • DTXSID6071530
    • UNII-5L2NZP42Y7
    • SCHEMBL3419635
    • DTXCID7045990
    • CZOUKEVZSCNCAE-AATRIKPKSA-N
    • BBL028261
    • STK801854
    • AKOS005622615
    • VS-08707
    • 270-267-8

  • Applications

    5-Octen-4-one, 2,7-dimethyl- (CAS 68419-46-5) is typically encountered in fragrance chemistry as an odorant and, in some cases, a building block or fixative for more complex aroma molecules. In perfumery/fragrance it may contribute subtle notes and serve as a scent ingredient; in cosmetics/personal care it is used as a fragrance component in products such as lotions and soaps (subject to regulations). In household products it can be added to scented cleaners and detergents to impart aroma. In industrial manufacturing it may be used as an intermediate in the synthesis of aroma compounds or as a precursor in fragrance chemical synthesis. In polymers/plastics it may be used as a fragrance additive or odorant release modifier to impart scent to finished materials. In food-related flavor formulations it may be evaluated for flavor applications, though use depends on regulatory status. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 646.29
    methanol 670.86
    isopropanol 750.31
    water 2.29
    ethyl acetate 411.54
    n-propanol 677.18
    acetone 662.87
    n-butanol 729.33
    acetonitrile 371.16
    DMF 840.01
    toluene 321.05
    isobutanol 653.65
    1,4-dioxane 841.66
    methyl acetate 410.71
    THF 1293.63
    2-butanone 556.91
    n-pentanol 503.34
    sec-butanol 755.09
    n-hexane 619.65
    ethylene glycol 187.96
    NMP 831.23
    cyclohexane 582.32
    DMSO 463.12
    n-butyl acetate 644.78
    n-octanol 490.76
    chloroform 1736.73
    n-propyl acetate 298.67
    acetic acid 703.74
    dichloromethane 870.79
    cyclohexanone 994.25
    propylene glycol 350.09
    isopropyl acetate 349.62
    DMAc 706.83
    2-ethoxyethanol 365.32
    isopentanol 711.26
    n-heptane 307.06
    ethyl formate 286.59
    1,2-dichloroethane 624.53
    n-hexanol 1089.59
    2-methoxyethanol 623.85
    isobutyl acetate 285.78
    tetrachloromethane 402.06
    n-pentyl acetate 331.29
    transcutol 1148.97
    n-heptanol 439.14
    ethylbenzene 276.72
    MIBK 409.69
    2-propoxyethanol 889.47
    tert-butanol 1092.1
    MTBE 860.41
    2-butoxyethanol 495.41
    propionic acid 596.28
    o-xylene 272.6
    formic acid 180.97
    diethyl ether 541.25
    m-xylene 308.78
    p-xylene 381.69
    chlorobenzene 450.09
    dimethyl carbonate 159.58
    n-octane 120.21
    formamide 138.14
    cyclopentanone 910.93
    2-pentanone 514.85
    anisole 374.68
    cyclopentyl methyl ether 719.13
    gamma-butyrolactone 780.3
    1-methoxy-2-propanol 626.06
    pyridine 567.47
    3-pentanone 392.66
    furfural 688.07
    n-dodecane 87.94
    diethylene glycol 520.63
    diisopropyl ether 292.98
    tert-amyl alcohol 891.52
    acetylacetone 456.48
    n-hexadecane 96.0
    acetophenone 346.84
    methyl propionate 326.61
    isopentyl acetate 664.58
    trichloroethylene 1221.27
    n-nonanol 419.9
    cyclohexanol 851.46
    benzyl alcohol 326.05
    2-ethylhexanol 638.68
    isooctanol 367.76
    dipropyl ether 504.46
    1,2-dichlorobenzene 436.51
    ethyl lactate 227.96
    propylene carbonate 600.22
    n-methylformamide 316.16
    2-pentanol 609.76
    n-pentane 358.16
    1-propoxy-2-propanol 759.84
    1-methoxy-2-propyl acetate 501.56
    2-(2-methoxypropoxy) propanol 478.88
    mesitylene 255.47
    ε-caprolactone 760.59
    p-cymene 248.31
    epichlorohydrin 764.52
    1,1,1-trichloroethane 927.72
    2-aminoethanol 366.72
    morpholine-4-carbaldehyde 746.91
    sulfolane 870.87
    2,2,4-trimethylpentane 182.25
    2-methyltetrahydrofuran 1027.52
    n-hexyl acetate 626.26
    isooctane 160.69
    2-(2-butoxyethoxy)ethanol 591.81
    sec-butyl acetate 287.56
    tert-butyl acetate 478.83
    decalin 257.01
    glycerin 382.37
    diglyme 828.27
    acrylic acid 486.92
    isopropyl myristate 276.84
    n-butyric acid 797.67
    acetyl acetate 295.68
    di(2-ethylhexyl) phthalate 256.54
    ethyl propionate 273.85
    nitromethane 543.94
    1,2-diethoxyethane 461.72
    benzonitrile 425.47
    trioctyl phosphate 203.0
    1-bromopropane 597.4
    gamma-valerolactone 958.32
    n-decanol 315.27
    triethyl phosphate 210.5
    4-methyl-2-pentanol 419.78
    propionitrile 423.9
    vinylene carbonate 470.51
    1,1,2-trichlorotrifluoroethane 740.05
    DMS 347.65
    cumene 247.02
    2-octanol 338.64
    2-hexanone 438.89
    octyl acetate 341.06
    limonene 400.31
    1,2-dimethoxyethane 719.93
    ethyl orthosilicate 222.23
    tributyl phosphate 232.2
    diacetone alcohol 539.17
    N,N-dimethylaniline 325.9
    acrylonitrile 408.34
    aniline 371.06
    1,3-propanediol 502.81
    bromobenzene 462.74
    dibromomethane 770.55
    1,1,2,2-tetrachloroethane 1301.49
    2-methyl-cyclohexyl acetate 390.12
    tetrabutyl urea 295.55
    diisobutyl methanol 378.55
    2-phenylethanol 473.57
    styrene 290.69
    dioctyl adipate 319.85
    dimethyl sulfate 245.74
    ethyl butyrate 367.28
    methyl lactate 272.55
    butyl lactate 345.95
    diethyl carbonate 260.67
    propanediol butyl ether 573.81
    triethyl orthoformate 312.68
    p-tert-butyltoluene 258.39
    methyl 4-tert-butylbenzoate 402.45
    morpholine 964.93
    tert-butylamine 856.04
    n-dodecanol 250.67
    dimethoxymethane 407.94
    ethylene carbonate 423.02
    cyrene 351.84
    2-ethoxyethyl acetate 347.77
    2-ethylhexyl acetate 516.71
    1,2,4-trichlorobenzene 531.34
    4-methylpyridine 634.13
    dibutyl ether 460.74
    2,6-dimethyl-4-heptanol 378.55
    DEF 504.03
    dimethyl isosorbide 624.26
    tetrachloroethylene 853.78
    eugenol 391.06
    triacetin 433.04
    span 80 538.75
    1,4-butanediol 224.88
    1,1-dichloroethane 855.76
    2-methyl-1-pentanol 503.79
    methyl formate 256.69
    2-methyl-1-butanol 645.45
    n-decane 146.97
    butyronitrile 557.27
    3,7-dimethyl-1-octanol 497.96
    1-chlorooctane 351.76
    1-chlorotetradecane 164.62
    n-nonane 158.62
    undecane 109.56
    tert-butylcyclohexane 252.97
    cyclooctane 207.75
    cyclopentanol 768.17
    tetrahydropyran 1076.23
    tert-amyl methyl ether 627.31
    2,5,8-trioxanonane 559.51
    1-hexene 796.06
    2-isopropoxyethanol 343.0
    2,2,2-trifluoroethanol 252.84
    methyl butyrate 380.66

    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