Heptanal, 2-methylene-

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  • Identifiers

    CAS number
    4125-23-9

    Molecular formula
    C8H14O

    SMILES
    CCCCCC(=C)C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 70.67%
    Fruity 61.17%
    Fatty 53.89%
    Herbal 46.65%
    Metallic 44.94%
    Fresh 43.16%
    Mushroom 41.99%
    Earthy 41.65%
    Aldehydic 40.18%
    Sweet 36.99%

     

    Flavor
    Herbal 61.74%
    Green 46.03%
    Spicy 41.0%
    Fatty 37.7%
    Fresh 34.16%
    Earthy 33.67%
    Fat 33.31%
    Mushroom 33.12%
    Fruity 32.17%
    Oily 32.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.14 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    168°C

    Flash point

    • 49.53 ˚C est.

  • Synonyms

    • Heptanal, 2-methylene-
    • RefChem:783648
    • 2-Methyleneheptan-1-al
    • 4125-23-9
    • 2-methyleneheptanal
    • 2-methylideneheptanal
    • EINECS 223-933-7
    • 2-methylene heptanal
    • 2-Methylene-heptanal
    • B3V8AV4LW7
    • SCHEMBL1135913
    • SCHEMBL2529652
    • DTXSID20194172
    • NS00030948
    • 4125-23-9

  • Applications

    Heptanal, 2-methylene- (CAS 4125-23-9) is primarily used as an intermediate in fragrance chemistry, serving as a building block for the synthesis of aroma compounds and specialized fragrance ingredients. It may also act as a precursor for flavor and aroma applications in the food and flavor industries. In cosmetics and personal care, it can appear as a fragrance component in formulations. In household cleaning products, it is used as an odor-active ingredient to enhance scent. In industrial manufacturing, it functions as a reactive aldehyde that enables routes to aroma materials and other specialty chemicals. Use is subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2808.47
    methanol 2567.42
    isopropanol 1918.55
    water 0.21
    ethyl acetate 2912.43
    n-propanol 2095.42
    acetone 3945.87
    n-butanol 2119.58
    acetonitrile 2168.54
    DMF 2291.45
    toluene 847.58
    isobutanol 1429.27
    1,4-dioxane 2038.93
    methyl acetate 2048.88
    THF 3493.38
    2-butanone 3072.28
    n-pentanol 1271.27
    sec-butanol 1628.29
    n-hexane 363.14
    ethylene glycol 209.88
    NMP 2138.01
    cyclohexane 382.56
    DMSO 3116.32
    n-butyl acetate 3574.91
    n-octanol 522.29
    chloroform 3444.38
    n-propyl acetate 2013.18
    acetic acid 1756.12
    dichloromethane 4129.42
    cyclohexanone 3839.96
    propylene glycol 399.95
    isopropyl acetate 1419.98
    DMAc 1151.02
    2-ethoxyethanol 1145.34
    isopentanol 1731.96
    n-heptane 221.77
    ethyl formate 1637.07
    1,2-dichloroethane 2771.3
    n-hexanol 1883.11
    2-methoxyethanol 2078.69
    isobutyl acetate 982.39
    tetrachloromethane 644.96
    n-pentyl acetate 1148.86
    transcutol 5328.27
    n-heptanol 515.6
    ethylbenzene 540.97
    MIBK 1235.58
    2-propoxyethanol 1902.82
    tert-butanol 1914.22
    MTBE 1622.26
    2-butoxyethanol 880.74
    propionic acid 1541.99
    o-xylene 501.82
    formic acid 399.96
    diethyl ether 1924.2
    m-xylene 602.37
    p-xylene 671.6
    chlorobenzene 1436.02
    dimethyl carbonate 374.82
    n-octane 65.61
    formamide 721.64
    cyclopentanone 3712.05
    2-pentanone 2774.41
    anisole 986.25
    cyclopentyl methyl ether 1872.79
    gamma-butyrolactone 3477.28
    1-methoxy-2-propanol 1474.91
    pyridine 2716.02
    3-pentanone 1445.23
    furfural 2802.27
    n-dodecane 34.34
    diethylene glycol 852.26
    diisopropyl ether 521.29
    tert-amyl alcohol 1520.12
    acetylacetone 1976.38
    n-hexadecane 41.24
    acetophenone 987.38
    methyl propionate 1572.4
    isopentyl acetate 2373.11
    trichloroethylene 5129.11
    n-nonanol 424.71
    cyclohexanol 1612.27
    benzyl alcohol 770.56
    2-ethylhexanol 1216.05
    isooctanol 439.95
    dipropyl ether 1349.32
    1,2-dichlorobenzene 1188.75
    ethyl lactate 439.67
    propylene carbonate 1841.53
    n-methylformamide 1624.93
    2-pentanol 1300.85
    n-pentane 242.14
    1-propoxy-2-propanol 1819.29
    1-methoxy-2-propyl acetate 1658.69
    2-(2-methoxypropoxy) propanol 771.13
    mesitylene 361.87
    ε-caprolactone 2887.14
    p-cymene 410.86
    epichlorohydrin 3620.6
    1,1,1-trichloroethane 2451.66
    2-aminoethanol 664.88
    morpholine-4-carbaldehyde 1783.82
    sulfolane 3238.55
    2,2,4-trimethylpentane 105.66
    2-methyltetrahydrofuran 3505.46
    n-hexyl acetate 1364.9
    isooctane 92.79
    2-(2-butoxyethoxy)ethanol 1137.47
    sec-butyl acetate 1123.31
    tert-butyl acetate 1253.8
    decalin 167.54
    glycerin 384.05
    diglyme 2118.16
    acrylic acid 1017.37
    isopropyl myristate 378.04
    n-butyric acid 2788.98
    acetyl acetate 1038.97
    di(2-ethylhexyl) phthalate 320.26
    ethyl propionate 1391.84
    nitromethane 3210.83
    1,2-diethoxyethane 2084.56
    benzonitrile 1417.04
    trioctyl phosphate 236.45
    1-bromopropane 1745.03
    gamma-valerolactone 3693.4
    n-decanol 290.31
    triethyl phosphate 396.6
    4-methyl-2-pentanol 640.39
    propionitrile 1790.87
    vinylene carbonate 1532.17
    1,1,2-trichlorotrifluoroethane 1809.99
    DMS 730.43
    cumene 336.69
    2-octanol 392.49
    2-hexanone 2123.94
    octyl acetate 481.14
    limonene 707.96
    1,2-dimethoxyethane 2217.08
    ethyl orthosilicate 421.89
    tributyl phosphate 378.16
    diacetone alcohol 1301.58
    N,N-dimethylaniline 503.61
    acrylonitrile 2080.69
    aniline 1055.99
    1,3-propanediol 1099.96
    bromobenzene 1466.91
    dibromomethane 2896.81
    1,1,2,2-tetrachloroethane 3144.71
    2-methyl-cyclohexyl acetate 907.07
    tetrabutyl urea 450.78
    diisobutyl methanol 597.73
    2-phenylethanol 970.04
    styrene 726.86
    dioctyl adipate 544.19
    dimethyl sulfate 549.6
    ethyl butyrate 1798.6
    methyl lactate 478.07
    butyl lactate 757.46
    diethyl carbonate 834.34
    propanediol butyl ether 827.04
    triethyl orthoformate 862.98
    p-tert-butyltoluene 365.85
    methyl 4-tert-butylbenzoate 593.25
    morpholine 3067.35
    tert-butylamine 1217.16
    n-dodecanol 201.85
    dimethoxymethane 1243.38
    ethylene carbonate 1235.51
    cyrene 528.66
    2-ethoxyethyl acetate 1295.21
    2-ethylhexyl acetate 1764.85
    1,2,4-trichlorobenzene 1297.7
    4-methylpyridine 2652.17
    dibutyl ether 1036.53
    2,6-dimethyl-4-heptanol 597.73
    DEF 2132.78
    dimethyl isosorbide 1323.86
    tetrachloroethylene 2188.45
    eugenol 639.92
    triacetin 835.82
    span 80 710.99
    1,4-butanediol 362.01
    1,1-dichloroethane 2951.71
    2-methyl-1-pentanol 1131.3
    methyl formate 1103.36
    2-methyl-1-butanol 1479.4
    n-decane 71.78
    butyronitrile 2497.98
    3,7-dimethyl-1-octanol 633.47
    1-chlorooctane 394.71
    1-chlorotetradecane 111.65
    n-nonane 78.93
    undecane 47.63
    tert-butylcyclohexane 166.39
    cyclooctane 112.67
    cyclopentanol 1609.05
    tetrahydropyran 3303.56
    tert-amyl methyl ether 1065.5
    2,5,8-trioxanonane 1162.99
    1-hexene 1333.3
    2-isopropoxyethanol 850.41
    2,2,2-trifluoroethanol 346.36
    methyl butyrate 2188.68

    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