2,6-Heptadienal, 2,4-dimethyl-, (2E)-

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  • Identifiers

    CAS number
    80192-48-9

    Molecular formula
    C9H14O

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

    Safety labels

  • Odor profile

    Fragrance
    Green 75.1%
    Fruity 58.47%
    Aldehydic 57.46%
    Fresh 53.61%
    Citrus 53.47%
    Fatty 39.14%
    Floral 38.61%
    Melon 35.71%
    Herbal 35.48%
    Leafy 32.1%

     

    Flavor
    Spicy 37.03%
    Herbal 33.92%
    Citrus 31.36%
    Sweet 28.69%
    Spice 23.84%
    Floral 22.76%
    Ocimene 22.27%
    Woody 22.16%
    Mouldy 22.0%
    Green 21.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.99 (neutral)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    188°C

    Flash point

    • 65.0 ˚C est.

  • Synonyms

    • 2,6-Heptadienal, 2,4-dimethyl-, (2E)-
    • 2,6-Heptadienal, 2,4-dimethyl-, (E)-
    • 2,6-Heptadienal, 2,4-dimethyl-
    • RefChem:445802
    • (2E)-2,4-dimethylhepta-2,6-dienal
    • 80192-48-9
    • 2,4-Dimethyl-2,6-heptadienal
    • (2E)-2,4-Dimethyl-2,6-heptadienal
    • SCHEMBL347737
    • MIHSPYMZXYONJN-RMKNXTFCSA-
    • DTXSID70888574
    • AKOS006283053
    • InChI=1/C9H14O/c1-4-5-8(2)6-9(3)7-10/h4,6-8H,1,5H2,2-3H3/b9-6+
    • 80192-48-9

  • Applications

    2,6-Heptadienal, 2,4-dimethyl-, (2E)- (CAS 80192-48-9) is used primarily as an odorant in perfumery, serving as a fragrance ingredient; it may also act as an intermediate in the industrial synthesis of aroma materials for fragrance applications. In cosmetics and personal care products and in household cleaning formulations, it is employed to impart or reinforce fresh aldehydic notes, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1314.5
    methanol 1631.15
    isopropanol 805.12
    water 0.62
    ethyl acetate 914.19
    n-propanol 871.36
    acetone 1198.56
    n-butanol 956.14
    acetonitrile 764.29
    DMF 970.15
    toluene 461.75
    isobutanol 619.23
    1,4-dioxane 1035.57
    methyl acetate 698.27
    THF 1668.55
    2-butanone 1004.0
    n-pentanol 625.53
    sec-butanol 692.38
    n-hexane 183.92
    ethylene glycol 146.22
    NMP 940.93
    cyclohexane 201.85
    DMSO 967.32
    n-butyl acetate 1116.44
    n-octanol 265.89
    chloroform 1553.84
    n-propyl acetate 572.44
    acetic acid 684.27
    dichloromethane 1600.25
    cyclohexanone 1291.08
    propylene glycol 199.97
    isopropyl acetate 447.42
    DMAc 529.76
    2-ethoxyethanol 523.81
    isopentanol 720.39
    n-heptane 124.79
    ethyl formate 570.92
    1,2-dichloroethane 990.9
    n-hexanol 1023.82
    2-methoxyethanol 903.52
    isobutyl acetate 323.59
    tetrachloromethane 350.09
    n-pentyl acetate 378.65
    transcutol 2064.53
    n-heptanol 271.09
    ethylbenzene 247.38
    MIBK 455.74
    2-propoxyethanol 999.02
    tert-butanol 820.34
    MTBE 754.27
    2-butoxyethanol 400.38
    propionic acid 515.11
    o-xylene 256.48
    formic acid 229.12
    diethyl ether 925.04
    m-xylene 326.23
    p-xylene 274.18
    chlorobenzene 593.26
    dimethyl carbonate 175.77
    n-octane 34.43
    formamide 286.59
    cyclopentanone 1229.59
    2-pentanone 920.53
    anisole 418.39
    cyclopentyl methyl ether 834.26
    gamma-butyrolactone 1115.65
    1-methoxy-2-propanol 623.99
    pyridine 924.82
    3-pentanone 539.6
    furfural 950.57
    n-dodecane 20.15
    diethylene glycol 505.82
    diisopropyl ether 238.56
    tert-amyl alcohol 695.77
    acetylacetone 595.61
    n-hexadecane 23.77
    acetophenone 365.99
    methyl propionate 556.73
    isopentyl acetate 808.25
    trichloroethylene 1783.51
    n-nonanol 207.65
    cyclohexanol 727.43
    benzyl alcohol 342.51
    2-ethylhexanol 538.82
    isooctanol 212.02
    dipropyl ether 546.24
    1,2-dichlorobenzene 479.24
    ethyl lactate 192.28
    propylene carbonate 634.29
    n-methylformamide 591.14
    2-pentanol 593.34
    n-pentane 163.55
    1-propoxy-2-propanol 737.12
    1-methoxy-2-propyl acetate 594.47
    2-(2-methoxypropoxy) propanol 380.64
    mesitylene 188.41
    ε-caprolactone 950.34
    p-cymene 199.21
    epichlorohydrin 1295.54
    1,1,1-trichloroethane 996.17
    2-aminoethanol 316.88
    morpholine-4-carbaldehyde 783.74
    sulfolane 1118.68
    2,2,4-trimethylpentane 68.94
    2-methyltetrahydrofuran 1483.54
    n-hexyl acetate 520.69
    isooctane 59.83
    2-(2-butoxyethoxy)ethanol 535.29
    sec-butyl acetate 343.74
    tert-butyl acetate 458.26
    decalin 88.13
    glycerin 222.12
    diglyme 890.08
    acrylic acid 371.6
    isopropyl myristate 172.99
    n-butyric acid 870.7
    acetyl acetate 345.37
    di(2-ethylhexyl) phthalate 177.19
    ethyl propionate 410.76
    nitromethane 929.73
    1,2-diethoxyethane 776.95
    benzonitrile 546.01
    trioctyl phosphate 128.94
    1-bromopropane 785.83
    gamma-valerolactone 1290.16
    n-decanol 148.18
    triethyl phosphate 172.14
    4-methyl-2-pentanol 287.94
    propionitrile 665.11
    vinylene carbonate 544.38
    1,1,2-trichlorotrifluoroethane 692.42
    DMS 298.46
    cumene 159.16
    2-octanol 183.41
    2-hexanone 688.64
    octyl acetate 219.37
    limonene 325.85
    1,2-dimethoxyethane 911.59
    ethyl orthosilicate 190.12
    tributyl phosphate 171.39
    diacetone alcohol 518.04
    N,N-dimethylaniline 245.95
    acrylonitrile 669.26
    aniline 485.74
    1,3-propanediol 480.38
    bromobenzene 601.87
    dibromomethane 1136.11
    1,1,2,2-tetrachloroethane 1147.64
    2-methyl-cyclohexyl acetate 354.47
    tetrabutyl urea 203.01
    diisobutyl methanol 265.28
    2-phenylethanol 440.48
    styrene 311.15
    dioctyl adipate 242.02
    dimethyl sulfate 258.16
    ethyl butyrate 541.33
    methyl lactate 209.35
    butyl lactate 286.77
    diethyl carbonate 295.34
    propanediol butyl ether 387.27
    triethyl orthoformate 319.78
    p-tert-butyltoluene 183.97
    methyl 4-tert-butylbenzoate 283.19
    morpholine 1344.42
    tert-butylamine 595.43
    n-dodecanol 108.93
    dimethoxymethane 616.75
    ethylene carbonate 442.85
    cyrene 288.23
    2-ethoxyethyl acetate 466.55
    2-ethylhexyl acetate 607.42
    1,2,4-trichlorobenzene 528.34
    4-methylpyridine 1013.28
    dibutyl ether 368.08
    2,6-dimethyl-4-heptanol 265.28
    DEF 744.65
    dimethyl isosorbide 631.32
    tetrachloroethylene 781.2
    eugenol 304.16
    triacetin 352.39
    span 80 339.27
    1,4-butanediol 198.08
    1,1-dichloroethane 1130.87
    2-methyl-1-pentanol 516.67
    methyl formate 445.46
    2-methyl-1-butanol 668.22
    n-decane 39.03
    butyronitrile 923.75
    3,7-dimethyl-1-octanol 289.4
    1-chlorooctane 192.3
    1-chlorotetradecane 62.55
    n-nonane 42.22
    undecane 26.8
    tert-butylcyclohexane 87.06
    cyclooctane 65.59
    cyclopentanol 654.12
    tetrahydropyran 1453.7
    tert-amyl methyl ether 533.64
    2,5,8-trioxanonane 550.77
    1-hexene 605.45
    2-isopropoxyethanol 391.35
    2,2,2-trifluoroethanol 160.21
    methyl butyrate 613.21

    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