7-Methylocta-1,6-dien-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    24903-94-4

    Molecular formula
    C9H14O

    SMILES
    CC(=CCCC(=O)C=C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 57.11%
    Herbal 49.14%
    Metallic 47.76%
    Sweet 47.47%
    Earthy 42.78%
    Fruity 39.9%
    Spicy 38.91%
    Vegetable 36.1%
    Citrus 34.15%
    Mushroom 32.61%

     

    Flavor
    Herbal 43.45%
    Spicy 38.58%
    Sweet 35.09%
    Green 31.68%
    Woody 30.26%
    Fruity 29.73%
    Earthy 27.13%
    Nutty 24.99%
    Dry 24.3%
    Oily 22.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.97 (weak base)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    194°C

    Flash point

    • 62.61 ˚C est.

  • Synonyms

    • 24903-94-4
    • 7-Methylocta-1,6-dien-3-one
    • 7-Methyl-1,6-octadien-3-one
    • DTXSID00504356
    • 24903-94-4

  • Applications

    7-Methylocta-1,6-dien-3-one (CAS 24903-94-4) is used as a fragrance ingredient in perfumery and personal care products; it may function as a fragrance component or synthetic intermediate in cosmetics and household goods; it serves as an industrial reaction intermediate for the synthesis of aroma compounds or specialty derivatives; it is employed as an aroma additive in coatings and inks; it may be evaluated for flavor or aroma applications in food and beverage formulations under regulatory constraints and represents a possible building block in organic synthesis for research and development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 573.54
    methanol 523.97
    isopropanol 415.37
    water 1.13
    ethyl acetate 617.94
    n-propanol 416.42
    acetone 551.28
    n-butanol 500.61
    acetonitrile 375.49
    DMF 495.78
    toluene 274.59
    isobutanol 313.87
    1,4-dioxane 930.53
    methyl acetate 464.08
    THF 1229.85
    2-butanone 528.69
    n-pentanol 360.92
    sec-butanol 414.26
    n-hexane 203.45
    ethylene glycol 66.65
    NMP 649.31
    cyclohexane 217.06
    DMSO 353.63
    n-butyl acetate 592.96
    n-octanol 209.4
    chloroform 1212.54
    n-propyl acetate 367.53
    acetic acid 483.14
    dichloromethane 902.64
    cyclohexanone 773.56
    propylene glycol 120.46
    isopropyl acetate 413.33
    DMAc 582.29
    2-ethoxyethanol 367.94
    isopentanol 473.53
    n-heptane 106.22
    ethyl formate 277.19
    1,2-dichloroethane 516.19
    n-hexanol 524.57
    2-methoxyethanol 521.23
    isobutyl acetate 264.74
    tetrachloromethane 230.14
    n-pentyl acetate 294.7
    transcutol 1690.44
    n-heptanol 199.99
    ethylbenzene 189.82
    MIBK 329.48
    2-propoxyethanol 584.13
    tert-butanol 621.65
    MTBE 682.88
    2-butoxyethanol 313.23
    propionic acid 341.95
    o-xylene 197.2
    formic acid 121.81
    diethyl ether 706.87
    m-xylene 211.27
    p-xylene 238.3
    chlorobenzene 339.2
    dimethyl carbonate 121.82
    n-octane 34.05
    formamide 157.59
    cyclopentanone 711.59
    2-pentanone 508.91
    anisole 335.39
    cyclopentyl methyl ether 627.72
    gamma-butyrolactone 676.16
    1-methoxy-2-propanol 407.66
    pyridine 562.05
    3-pentanone 381.48
    furfural 556.14
    n-dodecane 25.41
    diethylene glycol 299.96
    diisopropyl ether 232.96
    tert-amyl alcohol 567.93
    acetylacetone 452.18
    n-hexadecane 28.57
    acetophenone 292.66
    methyl propionate 357.52
    isopentyl acetate 541.31
    trichloroethylene 1022.71
    n-nonanol 196.64
    cyclohexanol 492.37
    benzyl alcohol 228.56
    2-ethylhexanol 340.59
    isooctanol 167.45
    dipropyl ether 405.56
    1,2-dichlorobenzene 302.19
    ethyl lactate 139.21
    propylene carbonate 448.6
    n-methylformamide 215.03
    2-pentanol 384.64
    n-pentane 145.41
    1-propoxy-2-propanol 456.2
    1-methoxy-2-propyl acetate 465.6
    2-(2-methoxypropoxy) propanol 364.1
    mesitylene 139.98
    ε-caprolactone 684.63
    p-cymene 137.81
    epichlorohydrin 771.6
    1,1,1-trichloroethane 654.51
    2-aminoethanol 177.89
    morpholine-4-carbaldehyde 666.74
    sulfolane 591.37
    2,2,4-trimethylpentane 76.09
    2-methyltetrahydrofuran 1052.26
    n-hexyl acetate 449.59
    isooctane 56.47
    2-(2-butoxyethoxy)ethanol 456.74
    sec-butyl acetate 319.09
    tert-butyl acetate 462.29
    decalin 105.95
    glycerin 151.11
    diglyme 750.16
    acrylic acid 255.19
    isopropyl myristate 169.59
    n-butyric acid 576.05
    acetyl acetate 369.84
    di(2-ethylhexyl) phthalate 150.83
    ethyl propionate 319.65
    nitromethane 510.55
    1,2-diethoxyethane 645.44
    benzonitrile 317.89
    trioctyl phosphate 101.6
    1-bromopropane 470.27
    gamma-valerolactone 813.82
    n-decanol 139.63
    triethyl phosphate 164.23
    4-methyl-2-pentanol 232.36
    propionitrile 329.69
    vinylene carbonate 350.96
    1,1,2-trichlorotrifluoroethane 467.37
    DMS 303.63
    cumene 140.14
    2-octanol 143.16
    2-hexanone 414.28
    octyl acetate 200.91
    limonene 241.65
    1,2-dimethoxyethane 711.63
    ethyl orthosilicate 181.85
    tributyl phosphate 150.14
    diacetone alcohol 394.02
    N,N-dimethylaniline 232.31
    acrylonitrile 307.86
    aniline 297.96
    1,3-propanediol 274.06
    bromobenzene 353.99
    dibromomethane 670.91
    1,1,2,2-tetrachloroethane 827.63
    2-methyl-cyclohexyl acetate 319.38
    tetrabutyl urea 174.99
    diisobutyl methanol 190.4
    2-phenylethanol 291.94
    styrene 227.65
    dioctyl adipate 238.88
    dimethyl sulfate 165.71
    ethyl butyrate 396.05
    methyl lactate 147.0
    butyl lactate 201.23
    diethyl carbonate 249.27
    propanediol butyl ether 262.87
    triethyl orthoformate 281.7
    p-tert-butyltoluene 135.17
    methyl 4-tert-butylbenzoate 258.0
    morpholine 1038.82
    tert-butylamine 494.89
    n-dodecanol 103.99
    dimethoxymethane 351.09
    ethylene carbonate 327.96
    cyrene 251.46
    2-ethoxyethyl acetate 378.21
    2-ethylhexyl acetate 435.18
    1,2,4-trichlorobenzene 372.93
    4-methylpyridine 604.23
    dibutyl ether 354.83
    2,6-dimethyl-4-heptanol 190.4
    DEF 543.49
    dimethyl isosorbide 567.16
    tetrachloroethylene 579.85
    eugenol 238.77
    triacetin 366.36
    span 80 331.28
    1,4-butanediol 107.84
    1,1-dichloroethane 643.55
    2-methyl-1-pentanol 372.52
    methyl formate 153.96
    2-methyl-1-butanol 409.9
    n-decane 45.55
    butyronitrile 421.34
    3,7-dimethyl-1-octanol 246.21
    1-chlorooctane 160.49
    1-chlorotetradecane 64.83
    n-nonane 45.49
    undecane 33.04
    tert-butylcyclohexane 102.09
    cyclooctane 72.59
    cyclopentanol 401.39
    tetrahydropyran 1050.0
    tert-amyl methyl ether 507.26
    2,5,8-trioxanonane 501.29
    1-hexene 459.59
    2-isopropoxyethanol 304.35
    2,2,2-trifluoroethanol 136.86
    methyl butyrate 409.93

    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