N-(3,7-Dimethylocta-2,6-dien-1-YL)butanamide

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  • Identifiers

    CAS number
    424827-33-8

    Molecular formula
    C14H25NO

    SMILES
    CCCC(=O)NCC=C(C)CCC=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Meaty 45.42%
    Herbal 44.24%
    Grapefruit 39.51%
    Citrus 38.76%
    Fruity 38.32%
    Spicy 35.44%
    Mint 34.99%
    Roasted 33.15%
    Savory 31.47%
    Cooling 27.39%

     

    Flavor
    Herbal 54.71%
    Floral 41.05%
    Spicy 33.14%
    Green 32.29%
    Woody 32.02%
    Fruity 28.42%
    Sweet 27.15%
    Herb 25.34%
    Citrus 24.33%
    Orange 24.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.6 (weak base)

    Molecular weight
    223.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 141.03 ˚C est.

  • Synonyms

    • 424827-33-8
    • N-(3,7-DIMETHYLOCTA-2,6-DIEN-1-YL)BUTANAMIDE
    • DTXSID30785499
    • 424827-33-8

  • Applications

    N-(3,7-Dimethylocta-2,6-dien-1-YL)butanamide (CAS 424827-33-8) is typically used as a fragrance-related intermediate and odorant, with potential applications in perfumery and cosmetics as a source of a woody-terpenoid aroma. It may function as a fixative or scent ingredient in household products such as cleaners and air fresheners, and can be considered for use in coatings and inks where fragrance contribution is desired. In industrial manufacturing, it can serve as an aroma-chemical intermediate for the synthesis of more complex fragrance molecules. Its terpenoid-like side chain also makes it a candidate for exploration as an additive in polymers/plastics to modulate scent profiles. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 892.44
    methanol 938.78
    isopropanol 628.69
    water 0.43
    ethyl acetate 407.26
    n-propanol 573.07
    acetone 506.79
    n-butanol 610.38
    acetonitrile 239.77
    DMF 462.13
    toluene 197.24
    isobutanol 409.26
    1,4-dioxane 772.12
    methyl acetate 261.75
    THF 1081.7
    2-butanone 394.01
    n-pentanol 450.75
    sec-butanol 536.23
    n-hexane 135.13
    ethylene glycol 44.76
    NMP 461.96
    cyclohexane 162.77
    DMSO 440.87
    n-butyl acetate 383.05
    n-octanol 194.71
    chloroform 942.54
    n-propyl acetate 307.45
    acetic acid 432.27
    dichloromethane 662.1
    cyclohexanone 624.83
    propylene glycol 141.28
    isopropyl acetate 314.38
    DMAc 530.15
    2-ethoxyethanol 391.55
    isopentanol 504.09
    n-heptane 52.33
    ethyl formate 204.56
    1,2-dichloroethane 375.1
    n-hexanol 484.31
    2-methoxyethanol 571.03
    isobutyl acetate 230.32
    tetrachloromethane 128.7
    n-pentyl acetate 252.98
    transcutol 1523.11
    n-heptanol 207.56
    ethylbenzene 122.16
    MIBK 267.53
    2-propoxyethanol 509.63
    tert-butanol 706.28
    MTBE 616.3
    2-butoxyethanol 326.27
    propionic acid 288.27
    o-xylene 135.53
    formic acid 109.37
    diethyl ether 542.85
    m-xylene 148.42
    p-xylene 173.47
    chlorobenzene 229.33
    dimethyl carbonate 66.21
    n-octane 20.47
    formamide 116.61
    cyclopentanone 542.3
    2-pentanone 389.98
    anisole 206.79
    cyclopentyl methyl ether 488.74
    gamma-butyrolactone 479.01
    1-methoxy-2-propanol 436.36
    pyridine 427.26
    3-pentanone 258.84
    furfural 397.07
    n-dodecane 14.6
    diethylene glycol 237.35
    diisopropyl ether 174.51
    tert-amyl alcohol 556.06
    acetylacetone 333.91
    n-hexadecane 16.8
    acetophenone 196.55
    methyl propionate 221.04
    isopentyl acetate 366.25
    trichloroethylene 679.2
    n-nonanol 179.96
    cyclohexanol 498.45
    benzyl alcohol 200.47
    2-ethylhexanol 264.96
    isooctanol 167.39
    dipropyl ether 291.31
    1,2-dichlorobenzene 198.37
    ethyl lactate 131.69
    propylene carbonate 316.17
    n-methylformamide 169.54
    2-pentanol 390.7
    n-pentane 90.24
    1-propoxy-2-propanol 410.32
    1-methoxy-2-propyl acetate 315.21
    2-(2-methoxypropoxy) propanol 294.38
    mesitylene 102.52
    ε-caprolactone 500.17
    p-cymene 84.8
    epichlorohydrin 556.94
    1,1,1-trichloroethane 418.91
    2-aminoethanol 174.6
    morpholine-4-carbaldehyde 487.82
    sulfolane 491.02
    2,2,4-trimethylpentane 46.28
    2-methyltetrahydrofuran 828.51
    n-hexyl acetate 366.06
    isooctane 31.41
    2-(2-butoxyethoxy)ethanol 426.1
    sec-butyl acetate 248.2
    tert-butyl acetate 322.71
    decalin 61.45
    glycerin 149.44
    diglyme 662.42
    acrylic acid 176.2
    isopropyl myristate 127.75
    n-butyric acid 574.84
    acetyl acetate 233.2
    di(2-ethylhexyl) phthalate 128.61
    ethyl propionate 214.78
    nitromethane 365.76
    1,2-diethoxyethane 501.96
    benzonitrile 229.24
    trioctyl phosphate 92.17
    1-bromopropane 336.03
    gamma-valerolactone 645.5
    n-decanol 122.6
    triethyl phosphate 125.32
    4-methyl-2-pentanol 223.19
    propionitrile 238.95
    vinylene carbonate 240.49
    1,1,2-trichlorotrifluoroethane 384.49
    DMS 178.62
    cumene 95.29
    2-octanol 143.55
    2-hexanone 333.59
    octyl acetate 164.61
    limonene 150.76
    1,2-dimethoxyethane 657.87
    ethyl orthosilicate 143.37
    tributyl phosphate 120.57
    diacetone alcohol 321.68
    N,N-dimethylaniline 158.79
    acrylonitrile 193.46
    aniline 253.35
    1,3-propanediol 331.77
    bromobenzene 222.69
    dibromomethane 486.54
    1,1,2,2-tetrachloroethane 666.57
    2-methyl-cyclohexyl acetate 244.31
    tetrabutyl urea 144.16
    diisobutyl methanol 134.4
    2-phenylethanol 221.89
    styrene 144.67
    dioctyl adipate 179.24
    dimethyl sulfate 104.5
    ethyl butyrate 263.24
    methyl lactate 118.98
    butyl lactate 196.2
    diethyl carbonate 157.78
    propanediol butyl ether 298.7
    triethyl orthoformate 208.36
    p-tert-butyltoluene 83.48
    methyl 4-tert-butylbenzoate 204.81
    morpholine 991.37
    tert-butylamine 466.22
    n-dodecanol 90.32
    dimethoxymethane 292.53
    ethylene carbonate 226.6
    cyrene 225.54
    2-ethoxyethyl acetate 299.96
    2-ethylhexyl acetate 293.6
    1,2,4-trichlorobenzene 242.51
    4-methylpyridine 470.82
    dibutyl ether 286.48
    2,6-dimethyl-4-heptanol 134.4
    DEF 376.84
    dimethyl isosorbide 411.05
    tetrachloroethylene 414.29
    eugenol 199.9
    triacetin 269.32
    span 80 300.79
    1,4-butanediol 128.2
    1,1-dichloroethane 467.35
    2-methyl-1-pentanol 383.57
    methyl formate 103.26
    2-methyl-1-butanol 444.4
    n-decane 28.63
    butyronitrile 377.75
    3,7-dimethyl-1-octanol 195.08
    1-chlorooctane 119.48
    1-chlorotetradecane 43.5
    n-nonane 28.26
    undecane 19.43
    tert-butylcyclohexane 57.85
    cyclooctane 42.35
    cyclopentanol 388.29
    tetrahydropyran 991.65
    tert-amyl methyl ether 392.38
    2,5,8-trioxanonane 421.7
    1-hexene 352.22
    2-isopropoxyethanol 292.11
    2,2,2-trifluoroethanol 87.48
    methyl butyrate 316.61

    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