2-Methylhept-2-enal

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  • Identifiers

    CAS number
    30567-26-1

    Molecular formula
    C8H14O

    SMILES
    CCCCC=C(C)C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 90.88%
    Fruity 83.08%
    Fatty 75.09%
    Fresh 57.1%
    Aldehydic 54.75%
    Melon 47.91%
    Vegetable 47.24%
    Grassy 44.23%
    Waxy 43.86%
    Citrus 43.01%

     

    Flavor
    Green 59.6%
    Herbal 49.69%
    Fruity 48.21%
    Spicy 43.9%
    Fatty 43.62%
    Citrus 40.58%
    Earthy 37.16%
    Fresh 35.59%
    Sweet 34.87%
    Floral 34.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.44 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    171°C

    Flash point

    • 57.38 ˚C est.

  • Synonyms

    • 2-METHYLHEPT-2-ENAL
    • 30567-26-1
    • DTXSID00952858
    • RefChem:88326
    • DTXCID101380929
    • 2-Methyl -2-heptenal
    • SCHEMBL1787244
    • SCHEMBL4145193
    • DB-303405
    • 30567-26-1

  • Applications

    2-Methylhept-2-enal (CAS 30567-26-1) is primarily used as an odorant in perfumery and fragrance applications and as a fragrance-related intermediate in aroma compound synthesis. It is commonly employed in cosmetics and personal care products as a fragrance component, and may be incorporated into household and cleaning formulations to impart a distinctive scent. In industrial manufacturing, it serves as a building block for fragrance compounds and may be used as an intermediate in the production of coatings, inks, and polymers requiring controlled volatility. Its use is formulation- and regulation-dependent, subject to local restrictions and purity requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3450.47
    methanol 2845.81
    isopropanol 2778.57
    water 0.45
    ethyl acetate 2810.38
    n-propanol 2586.25
    acetone 3939.45
    n-butanol 2548.02
    acetonitrile 2891.99
    DMF 2603.56
    toluene 987.84
    isobutanol 1905.24
    1,4-dioxane 2516.06
    methyl acetate 2067.28
    THF 3336.39
    2-butanone 3101.97
    n-pentanol 1567.36
    sec-butanol 2256.31
    n-hexane 524.2
    ethylene glycol 276.36
    NMP 1990.47
    cyclohexane 551.04
    DMSO 2903.34
    n-butyl acetate 3096.29
    n-octanol 637.74
    chloroform 4917.14
    n-propyl acetate 1787.23
    acetic acid 1948.63
    dichloromethane 5055.17
    cyclohexanone 3599.81
    propylene glycol 515.49
    isopropyl acetate 1310.41
    DMAc 1186.84
    2-ethoxyethanol 1225.38
    isopentanol 2087.87
    n-heptane 295.92
    ethyl formate 1691.71
    1,2-dichloroethane 3146.3
    n-hexanol 2163.72
    2-methoxyethanol 2191.05
    isobutyl acetate 876.4
    tetrachloromethane 1090.23
    n-pentyl acetate 1091.89
    transcutol 4687.85
    n-heptanol 654.87
    ethylbenzene 600.54
    MIBK 1120.97
    2-propoxyethanol 1922.57
    tert-butanol 2649.07
    MTBE 1989.78
    2-butoxyethanol 972.54
    propionic acid 1725.92
    o-xylene 537.29
    formic acid 426.53
    diethyl ether 2281.82
    m-xylene 631.46
    p-xylene 728.82
    chlorobenzene 1596.54
    dimethyl carbonate 374.21
    n-octane 89.68
    formamide 766.01
    cyclopentanone 3395.44
    2-pentanone 2609.34
    anisole 1016.19
    cyclopentyl methyl ether 1772.74
    gamma-butyrolactone 3077.42
    1-methoxy-2-propanol 1535.83
    pyridine 3039.11
    3-pentanone 1426.42
    furfural 2482.0
    n-dodecane 48.02
    diethylene glycol 877.58
    diisopropyl ether 546.4
    tert-amyl alcohol 2033.93
    acetylacetone 1646.85
    n-hexadecane 56.61
    acetophenone 908.53
    methyl propionate 1537.88
    isopentyl acetate 2121.01
    trichloroethylene 5516.27
    n-nonanol 504.19
    cyclohexanol 2036.73
    benzyl alcohol 842.29
    2-ethylhexanol 1335.78
    isooctanol 537.2
    dipropyl ether 1358.07
    1,2-dichlorobenzene 1240.18
    ethyl lactate 426.7
    propylene carbonate 1673.93
    n-methylformamide 1725.52
    2-pentanol 1693.4
    n-pentane 405.01
    1-propoxy-2-propanol 1766.03
    1-methoxy-2-propyl acetate 1314.63
    2-(2-methoxypropoxy) propanol 759.5
    mesitylene 374.7
    ε-caprolactone 2669.29
    p-cymene 421.4
    epichlorohydrin 3524.13
    1,1,1-trichloroethane 3211.06
    2-aminoethanol 820.34
    morpholine-4-carbaldehyde 1757.46
    sulfolane 2776.69
    2,2,4-trimethylpentane 145.03
    2-methyltetrahydrofuran 3673.62
    n-hexyl acetate 1328.9
    isooctane 126.98
    2-(2-butoxyethoxy)ethanol 1108.36
    sec-butyl acetate 1006.07
    tert-butyl acetate 1090.69
    decalin 210.43
    glycerin 497.73
    diglyme 1996.01
    acrylic acid 1144.17
    isopropyl myristate 383.49
    n-butyric acid 2973.6
    acetyl acetate 948.45
    di(2-ethylhexyl) phthalate 329.68
    ethyl propionate 1220.06
    nitromethane 2896.37
    1,2-diethoxyethane 1892.44
    benzonitrile 1610.55
    trioctyl phosphate 250.7
    1-bromopropane 2365.32
    gamma-valerolactone 3178.56
    n-decanol 350.09
    triethyl phosphate 378.86
    4-methyl-2-pentanol 754.0
    propionitrile 2338.73
    vinylene carbonate 1487.86
    1,1,2-trichlorotrifluoroethane 1989.04
    DMS 665.26
    cumene 373.35
    2-octanol 485.05
    2-hexanone 1915.56
    octyl acetate 491.19
    limonene 737.31
    1,2-dimethoxyethane 2134.16
    ethyl orthosilicate 393.73
    tributyl phosphate 360.91
    diacetone alcohol 1186.81
    N,N-dimethylaniline 539.55
    acrylonitrile 2526.81
    aniline 1302.55
    1,3-propanediol 1267.06
    bromobenzene 1627.38
    dibromomethane 3771.56
    1,1,2,2-tetrachloroethane 3633.99
    2-methyl-cyclohexyl acetate 791.13
    tetrabutyl urea 425.51
    diisobutyl methanol 621.42
    2-phenylethanol 960.93
    styrene 812.06
    dioctyl adipate 538.86
    dimethyl sulfate 552.15
    ethyl butyrate 1601.04
    methyl lactate 489.18
    butyl lactate 700.57
    diethyl carbonate 775.92
    propanediol butyl ether 906.26
    triethyl orthoformate 771.25
    p-tert-butyltoluene 385.13
    methyl 4-tert-butylbenzoate 598.21
    morpholine 3675.65
    tert-butylamine 1844.24
    n-dodecanol 250.94
    dimethoxymethane 1206.72
    ethylene carbonate 1233.16
    cyrene 527.35
    2-ethoxyethyl acetate 1199.53
    2-ethylhexyl acetate 1557.63
    1,2,4-trichlorobenzene 1383.65
    4-methylpyridine 2890.49
    dibutyl ether 1039.13
    2,6-dimethyl-4-heptanol 621.42
    DEF 2182.75
    dimethyl isosorbide 1124.84
    tetrachloroethylene 2584.76
    eugenol 649.78
    triacetin 806.51
    span 80 753.56
    1,4-butanediol 448.96
    1,1-dichloroethane 3671.42
    2-methyl-1-pentanol 1306.71
    methyl formate 1074.18
    2-methyl-1-butanol 1863.5
    n-decane 98.8
    butyronitrile 3076.99
    3,7-dimethyl-1-octanol 689.25
    1-chlorooctane 474.32
    1-chlorotetradecane 141.09
    n-nonane 112.95
    undecane 65.68
    tert-butylcyclohexane 205.52
    cyclooctane 152.3
    cyclopentanol 1998.01
    tetrahydropyran 3816.57
    tert-amyl methyl ether 1217.28
    2,5,8-trioxanonane 1146.37
    1-hexene 1680.67
    2-isopropoxyethanol 898.33
    2,2,2-trifluoroethanol 392.06
    methyl butyrate 1980.98

    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