2,6-Dimethylhepta-1,5-dien-3-yl acetate

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  • Identifiers

    CAS number
    74902-74-2

    Molecular formula
    C11H18O2

    SMILES
    CC(=CCC(C(=C)C)OC(=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 60.57%
    Herbal 60.38%
    Sweet 48.64%
    Green 48.22%
    Mint 44.49%
    Citrus 39.18%
    Fresh 38.32%
    Floral 35.36%
    Spicy 34.82%
    Woody 33.95%

     

    Flavor
    Green 49.24%
    Woody 48.8%
    Sweet 48.47%
    Herbal 46.97%
    Lavender 38.5%
    Fruity 36.82%
    Bergamot 35.74%
    Citrus 35.08%
    Tropical 34.92%
    Floral 33.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.86 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    211°C

    Flash point

    • 86.84 ˚C est.

  • Synonyms

    • 2,6-dimethylhepta-1,5-dien-3-yl acetate
    • 74902-74-2
    • 2,6-dimethyl-1,5-heptadien-3-ol acetate
    • 1-isopropenyl-4-methyl-3-pentenyl acetate
    • SCHEMBL592035
    • MFCD00798006
    • AKOS006271707
    • 74902-74-2

  • Applications

    2,6-Dimethylhepta-1,5-dien-3-yl acetate (CAS 74902-74-2) is primarily used in fragrance and aroma applications as an odorant and fragrance ingredient derived from terpenoid chemistry; it is commonly evaluated for perfumery use and in cosmetics/personal care formulations to impart a fresh, green note. It can serve as an intermediate in the synthesis of other fragrance compounds, and may be encountered in aroma formulations as an aroma component or processing aid. In addition, it is sometimes used as a fragrance additive in household cleaning products and coatings/inks, subject to formulation controls and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 892.87
    methanol 913.71
    isopropanol 952.93
    water 2.5
    ethyl acetate 346.26
    n-propanol 708.91
    acetone 490.61
    n-butanol 800.97
    acetonitrile 323.7
    DMF 784.49
    toluene 340.81
    isobutanol 637.44
    1,4-dioxane 868.81
    methyl acetate 400.84
    THF 958.81
    2-butanone 486.0
    n-pentanol 612.11
    sec-butanol 939.58
    n-hexane 242.9
    ethylene glycol 146.66
    NMP 642.55
    cyclohexane 197.57
    DMSO 469.71
    n-butyl acetate 352.95
    n-octanol 368.58
    chloroform 1480.24
    n-propyl acetate 230.7
    acetic acid 408.8
    dichloromethane 885.98
    cyclohexanone 590.93
    propylene glycol 352.44
    isopropyl acetate 270.83
    DMAc 955.36
    2-ethoxyethanol 505.89
    isopentanol 737.22
    n-heptane 90.36
    ethyl formate 248.52
    1,2-dichloroethane 464.6
    n-hexanol 769.45
    2-methoxyethanol 746.06
    isobutyl acetate 190.39
    tetrachloromethane 240.11
    n-pentyl acetate 242.19
    transcutol 1082.99
    n-heptanol 302.29
    ethylbenzene 276.37
    MIBK 297.97
    2-propoxyethanol 712.15
    tert-butanol 1167.1
    MTBE 836.0
    2-butoxyethanol 392.21
    propionic acid 381.84
    o-xylene 260.89
    formic acid 144.22
    diethyl ether 501.8
    m-xylene 261.45
    p-xylene 355.01
    chlorobenzene 321.1
    dimethyl carbonate 126.96
    n-octane 42.2
    formamide 152.65
    cyclopentanone 529.4
    2-pentanone 365.88
    anisole 392.0
    cyclopentyl methyl ether 481.87
    gamma-butyrolactone 496.62
    1-methoxy-2-propanol 640.32
    pyridine 508.48
    3-pentanone 275.86
    furfural 510.19
    n-dodecane 33.97
    diethylene glycol 437.62
    diisopropyl ether 181.92
    tert-amyl alcohol 1100.92
    acetylacetone 323.43
    n-hexadecane 37.39
    acetophenone 320.08
    methyl propionate 277.72
    isopentyl acetate 360.23
    trichloroethylene 877.27
    n-nonanol 310.4
    cyclohexanol 677.65
    benzyl alcohol 347.97
    2-ethylhexanol 408.64
    isooctanol 239.88
    dipropyl ether 274.37
    1,2-dichlorobenzene 293.31
    ethyl lactate 177.05
    propylene carbonate 371.28
    n-methylformamide 293.85
    2-pentanol 623.74
    n-pentane 165.06
    1-propoxy-2-propanol 525.93
    1-methoxy-2-propyl acetate 321.36
    2-(2-methoxypropoxy) propanol 407.39
    mesitylene 172.74
    ε-caprolactone 549.63
    p-cymene 154.41
    epichlorohydrin 630.03
    1,1,1-trichloroethane 637.78
    2-aminoethanol 342.07
    morpholine-4-carbaldehyde 736.01
    sulfolane 520.47
    2,2,4-trimethylpentane 91.3
    2-methyltetrahydrofuran 851.17
    n-hexyl acetate 438.72
    isooctane 61.71
    2-(2-butoxyethoxy)ethanol 504.9
    sec-butyl acetate 217.14
    tert-butyl acetate 322.86
    decalin 111.87
    glycerin 334.76
    diglyme 687.79
    acrylic acid 280.5
    isopropyl myristate 175.47
    n-butyric acid 532.12
    acetyl acetate 220.67
    di(2-ethylhexyl) phthalate 191.45
    ethyl propionate 215.63
    nitromethane 387.17
    1,2-diethoxyethane 403.01
    benzonitrile 355.09
    trioctyl phosphate 136.71
    1-bromopropane 500.37
    gamma-valerolactone 697.64
    n-decanol 227.33
    triethyl phosphate 147.7
    4-methyl-2-pentanol 366.87
    propionitrile 339.97
    vinylene carbonate 328.28
    1,1,2-trichlorotrifluoroethane 579.65
    DMS 243.49
    cumene 198.27
    2-octanol 237.21
    2-hexanone 334.83
    octyl acetate 236.83
    limonene 243.34
    1,2-dimethoxyethane 737.92
    ethyl orthosilicate 157.59
    tributyl phosphate 162.09
    diacetone alcohol 418.89
    N,N-dimethylaniline 330.41
    acrylonitrile 321.48
    aniline 386.14
    1,3-propanediol 493.0
    bromobenzene 328.83
    dibromomethane 690.71
    1,1,2,2-tetrachloroethane 947.14
    2-methyl-cyclohexyl acetate 275.9
    tetrabutyl urea 203.36
    diisobutyl methanol 202.33
    2-phenylethanol 366.06
    styrene 290.6
    dioctyl adipate 232.31
    dimethyl sulfate 186.65
    ethyl butyrate 236.04
    methyl lactate 207.95
    butyl lactate 231.36
    diethyl carbonate 177.55
    propanediol butyl ether 458.74
    triethyl orthoformate 197.95
    p-tert-butyltoluene 153.58
    methyl 4-tert-butylbenzoate 296.6
    morpholine 1018.68
    tert-butylamine 824.48
    n-dodecanol 166.99
    dimethoxymethane 397.84
    ethylene carbonate 279.54
    cyrene 340.02
    2-ethoxyethyl acetate 288.26
    2-ethylhexyl acetate 296.53
    1,2,4-trichlorobenzene 379.63
    4-methylpyridine 651.52
    dibutyl ether 297.78
    2,6-dimethyl-4-heptanol 202.33
    DEF 443.07
    dimethyl isosorbide 506.61
    tetrachloroethylene 532.76
    eugenol 319.89
    triacetin 323.68
    span 80 403.58
    1,4-butanediol 245.68
    1,1-dichloroethane 685.42
    2-methyl-1-pentanol 594.07
    methyl formate 198.44
    2-methyl-1-butanol 704.64
    n-decane 59.83
    butyronitrile 451.06
    3,7-dimethyl-1-octanol 362.63
    1-chlorooctane 207.81
    1-chlorotetradecane 82.48
    n-nonane 60.55
    undecane 43.18
    tert-butylcyclohexane 120.33
    cyclooctane 66.03
    cyclopentanol 578.91
    tetrahydropyran 851.79
    tert-amyl methyl ether 612.31
    2,5,8-trioxanonane 497.83
    1-hexene 513.95
    2-isopropoxyethanol 396.08
    2,2,2-trifluoroethanol 142.46
    methyl butyrate 305.94

    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