2-Ethyl-2-heptenal

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  • Identifiers

    CAS number
    34210-19-0

    Molecular formula
    C9H16O

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

  • Odor profile

    Fragrance
    Green 73.42%
    Fatty 68.95%
    Fruity 67.25%
    Nutty 37.54%
    Fresh 37.18%
    Aldehydic 36.85%
    Herbal 36.84%
    Oily 35.12%
    Vegetable 34.17%
    Pungent 32.57%

     

    Flavor
    Green 68.66%
    Fatty 53.45%
    Herbal 50.28%
    Fruity 47.63%
    Fresh 44.72%
    Citrus 41.74%
    Fat 40.87%
    Waxy 39.59%
    Spicy 38.89%
    Sweet 37.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.64 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 71.4 ˚C est.

    Solubility expt.

    • Insoluble in water; slightly soluble in propylene glycol; soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • 2-Ethyl-2-heptenal
    • 2-Ethyl-3-butylacrolein
    • trans-2-Ethyl-2-heptenal
    • (E)-2-ethylhept-2-enal
    • 2-Heptenal, 2-ethyl-, (E)-
    • 2-Ethyl-2-heptenal, trans-
    • FEMA No. 2438
    • UNII-02V559K729
    • 2-Ethyl-2-hepten-1-al
    • 2-Heptenal, 2-ethyl-
    • alpha-Ethyl-beta-butylacrolein
    • 2-Hepten-1-al, 2-ethyl-
    • 34210-19-0
    • 02V559K729
    • 10031-88-6
    • (2E)-2-ETHYLHEPT-2-ENAL
    • 2-ETHYL-2-HEPTENAL [FHFI]
    • 2-HEPTENAL, 2-ETHYL-, (2E)-
    • (2Z)-2-ethylhept-2-enal
    • SCHEMBL670347
    • CHEBI:195705
    • RKQKOUYEJBHOFR-VQHVLOKHSA-N
    • Q27231544
    • 600-061-9

  • Applications

    2-Ethyl-2-heptenal (CAS 34210-19-0) is primarily encountered as an odor-active compound and a synthesis intermediate in fragrance-related applications; in perfumery it can serve as a fragrance ingredient or intermediate for building woody and green note profiles and may help extend scent in some formulations. It is also used as a fragrance component in cosmetics and personal care products, contributing aroma to creams, lotions, and detergents. In the flavor arena, it may be evaluated or used as a aroma compound in flavor formulations, subject to regulatory limits. In household products, it can be incorporated as an odorant or fragrance ingredient in air fresheners, cleaners, and detergents. In coatings and inks, it may be used as a fragrance additive to impart specific scent profiles. In industrial manufacturing, it may be produced or employed as an intermediate in the synthesis of other fragrance-related chemicals and specialty materials; use is typically subject to regulatory controls and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6911.54
    methanol 6780.0
    isopropanol 6059.49
    water 0.41
    ethyl acetate 6435.38
    n-propanol 6267.72
    acetone 10284.41
    n-butanol 5662.84
    acetonitrile 8411.95
    DMF 6383.52
    toluene 2601.3
    isobutanol 4752.08
    1,4-dioxane 6263.51
    methyl acetate 4884.1
    THF 7082.33
    2-butanone 7074.0
    n-pentanol 3341.68
    sec-butanol 4916.52
    n-hexane 1588.82
    ethylene glycol 458.99
    NMP 4594.04
    cyclohexane 2157.02
    DMSO 5752.96
    n-butyl acetate 6312.51
    n-octanol 1146.44
    chloroform 11498.61
    n-propyl acetate 4050.79
    acetic acid 3906.88
    dichloromethane 11440.59
    cyclohexanone 9393.36
    propylene glycol 796.33
    isopropyl acetate 2880.74
    DMAc 2446.04
    2-ethoxyethanol 2246.58
    isopentanol 4358.22
    n-heptane 729.47
    ethyl formate 3620.9
    1,2-dichloroethane 8234.83
    n-hexanol 4010.22
    2-methoxyethanol 4186.35
    isobutyl acetate 1829.24
    tetrachloromethane 2625.34
    n-pentyl acetate 2307.67
    transcutol 7477.06
    n-heptanol 1137.67
    ethylbenzene 1347.23
    MIBK 2263.19
    2-propoxyethanol 3527.05
    tert-butanol 5670.36
    MTBE 5176.43
    2-butoxyethanol 1613.68
    propionic acid 3764.22
    o-xylene 1144.99
    formic acid 696.0
    diethyl ether 6868.41
    m-xylene 1368.99
    p-xylene 1591.67
    chlorobenzene 4158.15
    dimethyl carbonate 818.89
    n-octane 226.4
    formamide 1380.09
    cyclopentanone 7456.33
    2-pentanone 5742.87
    anisole 2116.91
    cyclopentyl methyl ether 4461.48
    gamma-butyrolactone 6938.46
    1-methoxy-2-propanol 2987.41
    pyridine 8117.86
    3-pentanone 3500.89
    furfural 4711.3
    n-dodecane 107.44
    diethylene glycol 1435.38
    diisopropyl ether 1472.61
    tert-amyl alcohol 4286.43
    acetylacetone 3402.36
    n-hexadecane 129.38
    acetophenone 1727.17
    methyl propionate 3531.07
    isopentyl acetate 3964.13
    trichloroethylene 12899.52
    n-nonanol 908.67
    cyclohexanol 5006.55
    benzyl alcohol 1631.09
    2-ethylhexanol 2338.94
    isooctanol 950.74
    dipropyl ether 3082.72
    1,2-dichlorobenzene 2981.92
    ethyl lactate 768.22
    propylene carbonate 3382.26
    n-methylformamide 3938.84
    2-pentanol 3717.7
    n-pentane 1256.82
    1-propoxy-2-propanol 2979.55
    1-methoxy-2-propyl acetate 2402.0
    2-(2-methoxypropoxy) propanol 1094.58
    mesitylene 793.37
    ε-caprolactone 6221.83
    p-cymene 723.17
    epichlorohydrin 7301.5
    1,1,1-trichloroethane 8191.58
    2-aminoethanol 1437.98
    morpholine-4-carbaldehyde 3611.4
    sulfolane 5666.34
    2,2,4-trimethylpentane 323.65
    2-methyltetrahydrofuran 7967.41
    n-hexyl acetate 2545.52
    isooctane 289.76
    2-(2-butoxyethoxy)ethanol 1732.75
    sec-butyl acetate 2077.76
    tert-butyl acetate 2449.88
    decalin 543.97
    glycerin 780.05
    diglyme 3311.43
    acrylic acid 2478.53
    isopropyl myristate 759.3
    n-butyric acid 6288.27
    acetyl acetate 2107.5
    di(2-ethylhexyl) phthalate 529.5
    ethyl propionate 2603.98
    nitromethane 6289.41
    1,2-diethoxyethane 3924.65
    benzonitrile 3683.35
    trioctyl phosphate 440.02
    1-bromopropane 6672.14
    gamma-valerolactone 6718.71
    n-decanol 620.93
    triethyl phosphate 613.53
    4-methyl-2-pentanol 1414.55
    propionitrile 6412.33
    vinylene carbonate 3103.38
    1,1,2-trichlorotrifluoroethane 3722.27
    DMS 1304.2
    cumene 725.44
    2-octanol 882.24
    2-hexanone 4070.31
    octyl acetate 915.62
    limonene 1394.02
    1,2-dimethoxyethane 4731.26
    ethyl orthosilicate 667.51
    tributyl phosphate 618.54
    diacetone alcohol 2122.1
    N,N-dimethylaniline 1038.41
    acrylonitrile 6321.78
    aniline 3233.52
    1,3-propanediol 2230.56
    bromobenzene 4360.46
    dibromomethane 8695.03
    1,1,2,2-tetrachloroethane 8842.96
    2-methyl-cyclohexyl acetate 1333.1
    tetrabutyl urea 755.37
    diisobutyl methanol 1088.01
    2-phenylethanol 1761.1
    styrene 2052.8
    dioctyl adipate 917.87
    dimethyl sulfate 1092.54
    ethyl butyrate 3054.46
    methyl lactate 897.25
    butyl lactate 1264.97
    diethyl carbonate 1386.82
    propanediol butyl ether 1350.08
    triethyl orthoformate 1431.26
    p-tert-butyltoluene 652.11
    methyl 4-tert-butylbenzoate 974.78
    morpholine 8768.97
    tert-butylamine 4390.5
    n-dodecanol 443.98
    dimethoxymethane 2823.75
    ethylene carbonate 2831.65
    cyrene 814.96
    2-ethoxyethyl acetate 2244.87
    2-ethylhexyl acetate 2864.86
    1,2,4-trichlorobenzene 3100.75
    4-methylpyridine 7422.02
    dibutyl ether 2279.68
    2,6-dimethyl-4-heptanol 1088.01
    DEF 5271.97
    dimethyl isosorbide 1791.5
    tetrachloroethylene 6133.12
    eugenol 1031.28
    triacetin 1379.85
    span 80 1200.93
    1,4-butanediol 758.42
    1,1-dichloroethane 9553.51
    2-methyl-1-pentanol 2540.03
    methyl formate 2420.21
    2-methyl-1-butanol 4030.72
    n-decane 227.38
    butyronitrile 7451.79
    3,7-dimethyl-1-octanol 1176.71
    1-chlorooctane 997.33
    1-chlorotetradecane 302.57
    n-nonane 270.37
    undecane 147.67
    tert-butylcyclohexane 476.03
    cyclooctane 467.86
    cyclopentanol 4551.58
    tetrahydropyran 10610.85
    tert-amyl methyl ether 2833.35
    2,5,8-trioxanonane 1725.38
    1-hexene 4530.34
    2-isopropoxyethanol 1646.37
    2,2,2-trifluoroethanol 768.56
    methyl butyrate 4367.67

    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