(2E)-hepta-2,6-dienoic acid

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  • Identifiers

    CAS number
    38867-17-3

    Molecular formula
    C7H10O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fatty 71.5%
    Green 60.89%
    Fruity 60.01%
    Cheesy 43.37%
    Dairy 42.9%
    Sour 35.45%
    Waxy 34.87%
    Buttery 33.14%
    Oily 32.43%
    Pungent 30.98%

     

    Flavor
    Sweet 29.42%
    Fatty 27.51%
    Odorless 24.65%
    Fruity 23.5%
    Oily 22.35%
    Pumpkin 20.27%
    Sour 19.96%
    Honeysuckle 19.76%
    Pear skin 19.75%
    Green 19.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.72 (neutral)

    Molecular weight
    126.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    229°C

    Flash point

    • 102.06 ˚C est.

  • Synonyms

    • (2E)-hepta-2,6-dienoic acid
    • 38867-17-3
    • Hepta-2,6-dienoic Acid
    • (E)-Hepta-2,6-dienoic acid
    • 68860-52-6
    • (e)-2,6-heptadienoic acid
    • SCHEMBL473758
    • DTXSID60421035
    • AKOS006223969
    • 2,6-Heptadienoic acid,96%,predominantly trans
    • 38867-17-3

  • Applications

    (2E)-hepta-2,6-dienoic acid, CAS 38867-17-3, is primarily used as an intermediate in organic synthesis and may serve as a monomer or crosslinkable component in polymers, coatings, and adhesives; it provides a precursor to fragrance-related derivatives and other conjugated diene esters/amides; it can be converted into ester and amide derivatives for use in cosmetics and personal care products; it is also evaluated as a building block for pharmaceutical or agricultural chemical syntheses, depending on process and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 175.58
    methanol 296.03
    isopropanol 82.07
    water 4.39
    ethyl acetate 54.61
    n-propanol 119.06
    acetone 140.32
    n-butanol 95.61
    acetonitrile 19.06
    DMF 503.8
    toluene 14.7
    isobutanol 86.69
    1,4-dioxane 51.76
    methyl acetate 57.36
    THF 276.0
    2-butanone 104.11
    n-pentanol 79.6
    sec-butanol 84.54
    n-hexane 8.61
    ethylene glycol 115.17
    NMP 696.65
    cyclohexane 3.37
    DMSO 854.63
    n-butyl acetate 87.54
    n-octanol 40.66
    chloroform 15.86
    n-propyl acetate 56.1
    acetic acid 170.77
    dichloromethane 16.72
    cyclohexanone 162.59
    propylene glycol 149.97
    isopropyl acetate 44.76
    DMAc 382.92
    2-ethoxyethanol 151.66
    isopentanol 101.14
    n-heptane 4.97
    ethyl formate 49.4
    1,2-dichloroethane 31.37
    n-hexanol 103.51
    2-methoxyethanol 278.62
    isobutyl acetate 35.64
    tetrachloromethane 9.08
    n-pentyl acetate 46.22
    transcutol 529.51
    n-heptanol 44.16
    ethylbenzene 16.68
    MIBK 78.26
    2-propoxyethanol 182.82
    tert-butanol 140.24
    MTBE 58.9
    2-butoxyethanol 97.26
    propionic acid 155.75
    o-xylene 23.95
    formic acid 139.55
    diethyl ether 24.91
    m-xylene 23.7
    p-xylene 19.77
    chlorobenzene 21.47
    dimethyl carbonate 52.92
    n-octane 1.65
    formamide 172.23
    cyclopentanone 322.41
    2-pentanone 101.49
    anisole 50.45
    cyclopentyl methyl ether 128.73
    gamma-butyrolactone 349.28
    1-methoxy-2-propanol 216.41
    pyridine 49.27
    3-pentanone 61.48
    furfural 231.33
    n-dodecane 1.36
    diethylene glycol 175.04
    diisopropyl ether 16.58
    tert-amyl alcohol 151.34
    acetylacetone 119.29
    n-hexadecane 1.51
    acetophenone 76.41
    methyl propionate 81.58
    isopentyl acetate 80.83
    trichloroethylene 65.29
    n-nonanol 34.17
    cyclohexanol 83.84
    benzyl alcohol 62.08
    2-ethylhexanol 56.4
    isooctanol 35.04
    dipropyl ether 33.53
    1,2-dichlorobenzene 33.96
    ethyl lactate 60.75
    propylene carbonate 151.63
    n-methylformamide 207.16
    2-pentanol 63.77
    n-pentane 3.71
    1-propoxy-2-propanol 136.16
    1-methoxy-2-propyl acetate 108.53
    2-(2-methoxypropoxy) propanol 132.53
    mesitylene 19.27
    ε-caprolactone 154.77
    p-cymene 18.43
    epichlorohydrin 193.61
    1,1,1-trichloroethane 26.26
    2-aminoethanol 194.77
    morpholine-4-carbaldehyde 288.65
    sulfolane 694.41
    2,2,4-trimethylpentane 6.44
    2-methyltetrahydrofuran 173.83
    n-hexyl acetate 79.33
    isooctane 5.04
    2-(2-butoxyethoxy)ethanol 183.4
    sec-butyl acetate 39.76
    tert-butyl acetate 82.9
    decalin 6.13
    glycerin 215.92
    diglyme 230.17
    acrylic acid 154.22
    isopropyl myristate 25.46
    n-butyric acid 139.04
    acetyl acetate 37.64
    di(2-ethylhexyl) phthalate 41.36
    ethyl propionate 53.82
    nitromethane 205.6
    1,2-diethoxyethane 62.57
    benzonitrile 40.58
    trioctyl phosphate 29.79
    1-bromopropane 12.23
    gamma-valerolactone 308.87
    n-decanol 24.74
    triethyl phosphate 36.02
    4-methyl-2-pentanol 50.73
    propionitrile 27.78
    vinylene carbonate 93.08
    1,1,2-trichlorotrifluoroethane 219.78
    DMS 72.78
    cumene 18.73
    2-octanol 26.85
    2-hexanone 80.34
    octyl acetate 37.36
    limonene 27.97
    1,2-dimethoxyethane 145.35
    ethyl orthosilicate 32.61
    tributyl phosphate 38.2
    diacetone alcohol 179.36
    N,N-dimethylaniline 56.29
    acrylonitrile 45.53
    aniline 47.79
    1,3-propanediol 178.38
    bromobenzene 15.61
    dibromomethane 12.51
    1,1,2,2-tetrachloroethane 67.33
    2-methyl-cyclohexyl acetate 59.12
    tetrabutyl urea 56.73
    diisobutyl methanol 32.44
    2-phenylethanol 70.77
    styrene 14.86
    dioctyl adipate 51.13
    dimethyl sulfate 168.12
    ethyl butyrate 55.6
    methyl lactate 108.6
    butyl lactate 77.91
    diethyl carbonate 36.51
    propanediol butyl ether 156.89
    triethyl orthoformate 41.07
    p-tert-butyltoluene 18.83
    methyl 4-tert-butylbenzoate 84.25
    morpholine 105.23
    tert-butylamine 69.33
    n-dodecanol 17.36
    dimethoxymethane 149.75
    ethylene carbonate 68.4
    cyrene 137.11
    2-ethoxyethyl acetate 78.32
    2-ethylhexyl acetate 58.76
    1,2,4-trichlorobenzene 51.06
    4-methylpyridine 62.12
    dibutyl ether 25.22
    2,6-dimethyl-4-heptanol 32.44
    DEF 137.46
    dimethyl isosorbide 189.69
    tetrachloroethylene 54.72
    eugenol 87.16
    triacetin 79.58
    span 80 110.49
    1,4-butanediol 82.95
    1,1-dichloroethane 17.63
    2-methyl-1-pentanol 88.65
    methyl formate 126.15
    2-methyl-1-butanol 102.58
    n-decane 2.14
    butyronitrile 30.98
    3,7-dimethyl-1-octanol 45.33
    1-chlorooctane 12.54
    1-chlorotetradecane 4.81
    n-nonane 2.04
    undecane 1.68
    tert-butylcyclohexane 7.44
    cyclooctane 2.15
    cyclopentanol 144.19
    tetrahydropyran 48.13
    tert-amyl methyl ether 65.43
    2,5,8-trioxanonane 176.86
    1-hexene 22.26
    2-isopropoxyethanol 101.43
    2,2,2-trifluoroethanol 63.86
    methyl butyrate 81.04

    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