2,4-Diethylhepta-2,6-dienal

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  • Identifiers

    CAS number
    85136-07-8

    Molecular formula
    C11H18O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 56.96%
    Fruity 48.11%
    Fatty 46.32%
    Citrus 38.25%
    Aldehydic 35.68%
    Fresh 33.43%
    Herbal 33.12%
    Metallic 26.86%
    Oily 25.6%
    Spicy 23.57%

     

    Flavor
    Spicy 36.7%
    Citrus 36.42%
    Herbal 35.18%
    Floral 28.17%
    Orange 26.74%
    Green 26.45%
    Fresh 26.09%
    Sweet 23.41%
    Melon 22.64%
    Oily 22.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.07 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point

    • 87.66 ˚C est.

  • Synonyms

    • 2,4-Diethylhepta-2,6-dienal
    • 85136-07-8
    • EINECS 285-729-4
    • RefChem:82411
    • 285-729-4
    • (2E)-2,4-diethylhepta-2,6-dienal
    • 2,4-DIETHYL-2,6-HEPTADIENAL
    • (E)-2,4-diethylhepta-2,6-dienal
    • SCHEMBL346591
    • QAFGEOHWEQLURJ-DHZHZOJOSA-N
    • AKOS015913035
    • DB-009100
    • A841229
    • 85136-07-8

  • Applications

    2,4-Diethylhepta-2,6-dienal (CAS 85136-07-8) is primarily used as a fragrance ingredient and odorant in perfumery, where it can serve as a fragrance note and may function as a fixative to extend aroma in formulations. It is also encountered as an intermediate in the synthesis of aroma chemicals for various olfactory products. In cosmetics and personal care formulations, it may act as a fragrance component; in household products and cleaners, it may be used to impart or reinforce scent; in industrial manufacturing it may be evaluated as a chemical intermediate or fragrance additive for coatings, inks, and related materials, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2265.06
    methanol 1684.22
    isopropanol 2139.48
    water 0.16
    ethyl acetate 2406.57
    n-propanol 2209.01
    acetone 3331.39
    n-butanol 1994.65
    acetonitrile 2159.04
    DMF 2767.13
    toluene 1274.25
    isobutanol 1671.17
    1,4-dioxane 2281.78
    methyl acetate 1961.29
    THF 3497.45
    2-butanone 2959.95
    n-pentanol 1200.81
    sec-butanol 1929.62
    n-hexane 345.38
    ethylene glycol 148.93
    NMP 2131.48
    cyclohexane 564.39
    DMSO 2274.96
    n-butyl acetate 2134.79
    n-octanol 453.66
    chloroform 4648.37
    n-propyl acetate 1388.62
    acetic acid 976.92
    dichloromethane 4985.58
    cyclohexanone 3863.64
    propylene glycol 304.66
    isopropyl acetate 1154.41
    DMAc 1280.18
    2-ethoxyethanol 846.96
    isopentanol 1437.83
    n-heptane 191.13
    ethyl formate 1342.94
    1,2-dichloroethane 3386.41
    n-hexanol 1553.59
    2-methoxyethanol 1451.6
    isobutyl acetate 719.35
    tetrachloromethane 819.51
    n-pentyl acetate 847.51
    transcutol 2807.25
    n-heptanol 460.48
    ethylbenzene 576.55
    MIBK 1033.89
    2-propoxyethanol 1433.65
    tert-butanol 1895.94
    MTBE 1935.76
    2-butoxyethanol 654.86
    propionic acid 1123.16
    o-xylene 590.39
    formic acid 159.3
    diethyl ether 2189.13
    m-xylene 736.47
    p-xylene 651.35
    chlorobenzene 1756.96
    dimethyl carbonate 393.46
    n-octane 72.26
    formamide 339.74
    cyclopentanone 3466.76
    2-pentanone 2374.61
    anisole 908.56
    cyclopentyl methyl ether 1837.43
    gamma-butyrolactone 3013.78
    1-methoxy-2-propanol 1203.33
    pyridine 2952.26
    3-pentanone 1405.38
    furfural 2003.08
    n-dodecane 43.8
    diethylene glycol 608.3
    diisopropyl ether 547.91
    tert-amyl alcohol 1548.26
    acetylacetone 1496.41
    n-hexadecane 52.67
    acetophenone 824.99
    methyl propionate 1454.4
    isopentyl acetate 1585.17
    trichloroethylene 5587.4
    n-nonanol 363.79
    cyclohexanol 1780.73
    benzyl alcohol 737.57
    2-ethylhexanol 815.42
    isooctanol 376.15
    dipropyl ether 962.98
    1,2-dichlorobenzene 1241.1
    ethyl lactate 351.65
    propylene carbonate 1563.34
    n-methylformamide 1202.98
    2-pentanol 1354.27
    n-pentane 344.76
    1-propoxy-2-propanol 1159.59
    1-methoxy-2-propyl acetate 1064.04
    2-(2-methoxypropoxy) propanol 544.47
    mesitylene 432.47
    ε-caprolactone 2454.75
    p-cymene 350.75
    epichlorohydrin 3560.63
    1,1,1-trichloroethane 3354.65
    2-aminoethanol 453.52
    morpholine-4-carbaldehyde 1569.2
    sulfolane 2666.05
    2,2,4-trimethylpentane 121.22
    2-methyltetrahydrofuran 3432.98
    n-hexyl acetate 1068.01
    isooctane 117.8
    2-(2-butoxyethoxy)ethanol 769.63
    sec-butyl acetate 778.92
    tert-butyl acetate 1046.95
    decalin 187.1
    glycerin 282.89
    diglyme 1484.58
    acrylic acid 715.1
    isopropyl myristate 360.38
    n-butyric acid 2014.98
    acetyl acetate 786.56
    di(2-ethylhexyl) phthalate 274.74
    ethyl propionate 951.97
    nitromethane 1808.1
    1,2-diethoxyethane 1269.26
    benzonitrile 1414.54
    trioctyl phosphate 221.64
    1-bromopropane 2694.52
    gamma-valerolactone 2885.66
    n-decanol 259.59
    triethyl phosphate 291.55
    4-methyl-2-pentanol 574.93
    propionitrile 2026.49
    vinylene carbonate 1291.34
    1,1,2-trichlorotrifluoroethane 1454.86
    DMS 613.35
    cumene 330.62
    2-octanol 354.15
    2-hexanone 1514.63
    octyl acetate 438.63
    limonene 576.35
    1,2-dimethoxyethane 1696.45
    ethyl orthosilicate 300.22
    tributyl phosphate 283.19
    diacetone alcohol 957.13
    N,N-dimethylaniline 481.92
    acrylonitrile 1972.55
    aniline 1222.25
    1,3-propanediol 735.19
    bromobenzene 1935.78
    dibromomethane 3567.46
    1,1,2,2-tetrachloroethane 3647.66
    2-methyl-cyclohexyl acetate 612.3
    tetrabutyl urea 354.08
    diisobutyl methanol 430.21
    2-phenylethanol 753.31
    styrene 814.27
    dioctyl adipate 447.4
    dimethyl sulfate 562.18
    ethyl butyrate 1055.96
    methyl lactate 411.59
    butyl lactate 541.28
    diethyl carbonate 562.5
    propanediol butyl ether 604.7
    triethyl orthoformate 549.62
    p-tert-butyltoluene 325.97
    methyl 4-tert-butylbenzoate 528.06
    morpholine 3126.14
    tert-butylamine 1331.26
    n-dodecanol 196.19
    dimethoxymethane 1304.95
    ethylene carbonate 1115.91
    cyrene 475.03
    2-ethoxyethyl acetate 922.52
    2-ethylhexyl acetate 1121.52
    1,2,4-trichlorobenzene 1354.21
    4-methylpyridine 2951.61
    dibutyl ether 739.24
    2,6-dimethyl-4-heptanol 430.21
    DEF 1935.48
    dimethyl isosorbide 965.34
    tetrachloroethylene 2281.29
    eugenol 504.74
    triacetin 637.48
    span 80 515.14
    1,4-butanediol 295.24
    1,1-dichloroethane 4072.49
    2-methyl-1-pentanol 930.59
    methyl formate 868.63
    2-methyl-1-butanol 1413.79
    n-decane 84.2
    butyronitrile 2478.74
    3,7-dimethyl-1-octanol 473.13
    1-chlorooctane 416.34
    1-chlorotetradecane 139.23
    n-nonane 92.91
    undecane 58.47
    tert-butylcyclohexane 165.51
    cyclooctane 150.91
    cyclopentanol 1726.52
    tetrahydropyran 3746.12
    tert-amyl methyl ether 1105.95
    2,5,8-trioxanonane 834.54
    1-hexene 1256.59
    2-isopropoxyethanol 644.5
    2,2,2-trifluoroethanol 227.97
    methyl butyrate 1563.83

    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