4-Heptenal, 2,5,6-trimethyl-

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  • Identifiers

    CAS number
    82784-84-7

    Molecular formula
    C10H18O

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

  • Odor profile

    Fragrance
    Green 74.54%
    Fresh 65.97%
    Citrus 58.74%
    Sweet 56.2%
    Floral 54.8%
    Aldehydic 53.45%
    Herbal 44.16%
    Melon 38.82%
    Lemon 37.66%
    Fruity 36.89%

     

    Flavor
    Green 57.3%
    Citrus 47.59%
    Herbal 42.01%
    Floral 41.71%
    Fresh 33.21%
    Spicy 30.62%
    Sweet 30.46%
    Herb 29.2%
    Fruity 28.36%
    Tropical 26.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.17 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    192°C

    Flash point

    • 74.14 ˚C est.

  • Synonyms

    • 4-Heptenal, 2,5,6-trimethyl-
    • 82784-84-7
    • 2,5,6-trimethyl-4-heptenal
    • DTXSID10868673
    • EINECS 280-029-5
    • 3Z78YN7FL9
    • DTXCID50816759
    • XHOFTJRCBBQRFB-UHFFFAOYSA-N
    • NS00058894

  • Applications

    4-Heptenal, 2,5,6-trimethyl-, CAS 82784-84-7, is used as a fragrance ingredient and odorant in perfumery and cosmetics, contributing fresh green notes; it is also commonly employed as an intermediate in the synthesis of aroma compounds to provide or modify fragrance in fragrance formulations and cosmetic products; in industrial settings, it can serve as an aroma component in paints, coatings, and cleaning formulations to impart or enhance scent; and it may be evaluated for use in polymers/plastics or other specialty chemical applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 899.96
    methanol 442.34
    isopropanol 956.91
    water 0.43
    ethyl acetate 1375.27
    n-propanol 882.13
    acetone 1567.24
    n-butanol 940.65
    acetonitrile 1366.03
    DMF 912.31
    toluene 662.12
    isobutanol 722.78
    1,4-dioxane 1534.62
    methyl acetate 1210.05
    THF 1963.93
    2-butanone 1766.95
    n-pentanol 600.31
    sec-butanol 1018.15
    n-hexane 324.36
    ethylene glycol 71.48
    NMP 1034.47
    cyclohexane 330.51
    DMSO 926.95
    n-butyl acetate 1306.98
    n-octanol 345.12
    chloroform 3058.5
    n-propyl acetate 883.76
    acetic acid 564.21
    dichloromethane 2607.07
    cyclohexanone 1811.59
    propylene glycol 194.53
    isopropyl acetate 728.21
    DMAc 791.08
    2-ethoxyethanol 541.16
    isopentanol 891.81
    n-heptane 143.38
    ethyl formate 675.69
    1,2-dichloroethane 1510.17
    n-hexanol 812.25
    2-methoxyethanol 769.27
    isobutyl acetate 514.45
    tetrachloromethane 763.6
    n-pentyl acetate 606.77
    transcutol 2444.62
    n-heptanol 358.76
    ethylbenzene 436.34
    MIBK 623.74
    2-propoxyethanol 829.07
    tert-butanol 1308.54
    MTBE 1317.24
    2-butoxyethanol 527.88
    propionic acid 669.78
    o-xylene 426.42
    formic acid 113.3
    diethyl ether 1209.74
    m-xylene 433.62
    p-xylene 571.15
    chlorobenzene 934.92
    dimethyl carbonate 212.25
    n-octane 49.81
    formamide 227.15
    cyclopentanone 1829.42
    2-pentanone 1261.33
    anisole 754.47
    cyclopentyl methyl ether 1014.35
    gamma-butyrolactone 1611.38
    1-methoxy-2-propanol 696.08
    pyridine 1491.71
    3-pentanone 840.09
    furfural 1433.84
    n-dodecane 26.18
    diethylene glycol 347.24
    diisopropyl ether 353.72
    tert-amyl alcohol 1173.95
    acetylacetone 892.66
    n-hexadecane 31.75
    acetophenone 640.76
    methyl propionate 739.16
    isopentyl acetate 1058.04
    trichloroethylene 3107.26
    n-nonanol 295.85
    cyclohexanol 864.19
    benzyl alcohol 507.1
    2-ethylhexanol 587.21
    isooctanol 320.2
    dipropyl ether 668.43
    1,2-dichlorobenzene 807.4
    ethyl lactate 271.99
    propylene carbonate 995.66
    n-methylformamide 505.74
    2-pentanol 760.47
    n-pentane 212.36
    1-propoxy-2-propanol 807.01
    1-methoxy-2-propyl acetate 794.81
    2-(2-methoxypropoxy) propanol 547.84
    mesitylene 284.24
    ε-caprolactone 1442.55
    p-cymene 284.58
    epichlorohydrin 1915.11
    1,1,1-trichloroethane 2158.06
    2-aminoethanol 235.71
    morpholine-4-carbaldehyde 1025.96
    sulfolane 1506.6
    2,2,4-trimethylpentane 107.09
    2-methyltetrahydrofuran 2104.76
    n-hexyl acetate 849.85
    isooctane 86.65
    2-(2-butoxyethoxy)ethanol 719.33
    sec-butyl acetate 628.49
    tert-butyl acetate 763.63
    decalin 151.34
    glycerin 193.38
    diglyme 1258.42
    acrylic acid 468.82
    isopropyl myristate 280.39
    n-butyric acid 1097.98
    acetyl acetate 597.17
    di(2-ethylhexyl) phthalate 258.99
    ethyl propionate 700.58
    nitromethane 1069.44
    1,2-diethoxyethane 997.79
    benzonitrile 851.78
    trioctyl phosphate 179.26
    1-bromopropane 1181.41
    gamma-valerolactone 1732.66
    n-decanol 203.88
    triethyl phosphate 278.36
    4-methyl-2-pentanol 409.71
    propionitrile 1077.01
    vinylene carbonate 778.73
    1,1,2-trichlorotrifluoroethane 1031.4
    DMS 484.23
    cumene 296.53
    2-octanol 281.37
    2-hexanone 999.23
    octyl acetate 349.18
    limonene 439.26
    1,2-dimethoxyethane 1081.17
    ethyl orthosilicate 285.93
    tributyl phosphate 247.53
    diacetone alcohol 737.11
    N,N-dimethylaniline 444.62
    acrylonitrile 1040.96
    aniline 787.19
    1,3-propanediol 422.75
    bromobenzene 1005.88
    dibromomethane 1949.7
    1,1,2,2-tetrachloroethane 2181.26
    2-methyl-cyclohexyl acetate 583.45
    tetrabutyl urea 274.54
    diisobutyl methanol 333.04
    2-phenylethanol 540.58
    styrene 546.65
    dioctyl adipate 395.81
    dimethyl sulfate 337.39
    ethyl butyrate 834.03
    methyl lactate 262.04
    butyl lactate 426.74
    diethyl carbonate 482.44
    propanediol butyl ether 487.21
    triethyl orthoformate 488.45
    p-tert-butyltoluene 280.66
    methyl 4-tert-butylbenzoate 490.06
    morpholine 1856.39
    tert-butylamine 954.08
    n-dodecanol 144.42
    dimethoxymethane 485.54
    ethylene carbonate 641.69
    cyrene 432.76
    2-ethoxyethyl acetate 683.2
    2-ethylhexyl acetate 817.95
    1,2,4-trichlorobenzene 973.47
    4-methylpyridine 1572.43
    dibutyl ether 562.02
    2,6-dimethyl-4-heptanol 333.04
    DEF 985.03
    dimethyl isosorbide 875.42
    tetrachloroethylene 1416.81
    eugenol 459.42
    triacetin 622.15
    span 80 497.7
    1,4-butanediol 167.7
    1,1-dichloroethane 2027.79
    2-methyl-1-pentanol 661.64
    methyl formate 351.61
    2-methyl-1-butanol 849.18
    n-decane 56.74
    butyronitrile 1312.55
    3,7-dimethyl-1-octanol 420.28
    1-chlorooctane 292.93
    1-chlorotetradecane 87.33
    n-nonane 62.14
    undecane 36.57
    tert-butylcyclohexane 156.88
    cyclooctane 98.71
    cyclopentanol 809.84
    tetrahydropyran 1993.72
    tert-amyl methyl ether 825.87
    2,5,8-trioxanonane 784.94
    1-hexene 891.63
    2-isopropoxyethanol 483.79
    2,2,2-trifluoroethanol 185.47
    methyl butyrate 1013.71

    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