4-Methyl-3-heptene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4485-16-9

    Molecular formula
    C8H16

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

    Safety labels

  • Odor profile

    Fragrance
    Gassy 46.83%
    Citrus 41.81%
    Sweet 41.53%
    Fresh 39.63%
    Green 36.82%
    Fruity 36.12%
    Herbal 33.9%
    Ethereal 31.67%
    Lemon 28.8%
    Floral 26.38%

     

    Flavor
    Citrus 42.44%
    Sweet 34.73%
    Alkane 32.45%
    Gasoline 29.96%
    Fresh 29.0%
    Floral 28.41%
    Fruity 27.17%
    Woody 26.88%
    Green 26.36%
    Linden 22.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    10.64 (weak base)

    Molecular weight
    112.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    115°C

    Flash point

    • 11.71 ˚C est.

  • Synonyms

    • 4-Methyl-3-heptene
    • 3-Heptene, 4-methyl-
    • 4485-16-9
    • NSC 158671
    • RefChem:99771
    • KKVVJQGDNYIIMN-SOFGYWHQSA-N
    • KKVVJQGDNYIIMN-UHFFFAOYSA-N
    • (E)-4-Methylhept-3-ene
    • (3E)-4-Methyl-3-heptene #
    • 3-Heptene,4-methyl-
    • (E)-4-methyl-3-heptene
    • SCHEMBL57058
    • 3-Heptene, 4-methyl-, trans
    • SCHEMBL2120707
    • SCHEMBL2122698
    • SCHEMBL7872915
    • CHEBI:88853
    • DTXSID301350722
    • AKOS006273235
    • 13714-85-7
    • Q27160853
    • 4485-16-9

  • Applications

    4-Methyl-3-heptene (CAS number: 4485-16-9) is a branched C8 alkene. In practice, it is mainly used as an intermediate in organic synthesis, providing a starting point for preparing more refined and complex chemicals. It may also serve as a precursor for fragrance and flavor research, contributing to aroma compounds with an aliphatic backbone. It can act as a feedstock for specialty polymers or copolymers to tailor material properties. In coatings and inks, it may function as a reactive hydrocarbon component or processing aid within controlled formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2663.16
    methanol 1334.89
    isopropanol 2540.1
    water 0.08
    ethyl acetate 2607.86
    n-propanol 2496.23
    acetone 2442.28
    n-butanol 3511.0
    acetonitrile 1832.28
    DMF 1099.84
    toluene 2169.2
    isobutanol 2007.31
    1,4-dioxane 4634.83
    methyl acetate 1534.24
    THF 7900.33
    2-butanone 2449.79
    n-pentanol 2143.11
    sec-butanol 2830.02
    n-hexane 5762.1
    ethylene glycol 123.04
    NMP 1302.56
    cyclohexane 6865.78
    DMSO 1441.8
    n-butyl acetate 7225.57
    n-octanol 2143.73
    chloroform 4732.99
    n-propyl acetate 1886.65
    acetic acid 885.35
    dichloromethane 4046.04
    cyclohexanone 4044.1
    propylene glycol 277.99
    isopropyl acetate 1692.68
    DMAc 864.37
    2-ethoxyethanol 1089.51
    isopentanol 2872.97
    n-heptane 10425.03
    ethyl formate 1055.15
    1,2-dichloroethane 2730.63
    n-hexanol 7563.64
    2-methoxyethanol 1548.22
    isobutyl acetate 1171.85
    tetrachloromethane 1614.68
    n-pentyl acetate 2093.07
    transcutol 3478.86
    n-heptanol 2256.23
    ethylbenzene 1057.39
    MIBK 1589.28
    2-propoxyethanol 3714.38
    tert-butanol 3468.82
    MTBE 4494.53
    2-butoxyethanol 1560.42
    propionic acid 918.69
    o-xylene 975.83
    formic acid 87.8
    diethyl ether 6619.02
    m-xylene 1278.11
    p-xylene 1170.08
    chlorobenzene 1629.65
    dimethyl carbonate 230.31
    n-octane 1817.15
    formamide 129.96
    cyclopentanone 3054.27
    2-pentanone 2779.45
    anisole 1082.77
    cyclopentyl methyl ether 4413.37
    gamma-butyrolactone 2002.44
    1-methoxy-2-propanol 1416.96
    pyridine 2964.76
    3-pentanone 1796.52
    furfural 1166.52
    n-dodecane 720.02
    diethylene glycol 851.74
    diisopropyl ether 2136.55
    tert-amyl alcohol 2930.2
    acetylacetone 1282.73
    n-hexadecane 821.47
    acetophenone 651.92
    methyl propionate 1211.18
    isopentyl acetate 4809.5
    trichloroethylene 2997.33
    n-nonanol 1759.81
    cyclohexanol 3355.44
    benzyl alcohol 613.56
    2-ethylhexanol 6146.63
    isooctanol 1700.27
    dipropyl ether 9578.52
    1,2-dichlorobenzene 1105.97
    ethyl lactate 332.03
    propylene carbonate 1257.06
    n-methylformamide 501.66
    2-pentanol 2975.09
    n-pentane 4519.46
    1-propoxy-2-propanol 3977.72
    1-methoxy-2-propyl acetate 2032.21
    2-(2-methoxypropoxy) propanol 990.69
    mesitylene 852.39
    ε-caprolactone 2721.52
    p-cymene 1746.12
    epichlorohydrin 2761.16
    1,1,1-trichloroethane 3407.19
    2-aminoethanol 401.51
    morpholine-4-carbaldehyde 1356.97
    sulfolane 1849.13
    2,2,4-trimethylpentane 1069.2
    2-methyltetrahydrofuran 7913.42
    n-hexyl acetate 2569.01
    isooctane 1007.37
    2-(2-butoxyethoxy)ethanol 1462.24
    sec-butyl acetate 1201.1
    tert-butyl acetate 1664.69
    decalin 1362.85
    glycerin 240.62
    diglyme 2541.88
    acrylic acid 443.48
    isopropyl myristate 1110.41
    n-butyric acid 2366.66
    acetyl acetate 893.09
    di(2-ethylhexyl) phthalate 599.1
    ethyl propionate 1308.95
    nitromethane 920.7
    1,2-diethoxyethane 4434.2
    benzonitrile 1179.27
    trioctyl phosphate 592.73
    1-bromopropane 5395.81
    gamma-valerolactone 2381.13
    n-decanol 1280.11
    triethyl phosphate 701.11
    4-methyl-2-pentanol 1443.45
    propionitrile 2154.83
    vinylene carbonate 823.79
    1,1,2-trichlorotrifluoroethane 975.24
    DMS 605.5
    cumene 697.67
    2-octanol 1688.71
    2-hexanone 2466.56
    octyl acetate 1270.27
    limonene 3943.61
    1,2-dimethoxyethane 2976.21
    ethyl orthosilicate 869.58
    tributyl phosphate 714.61
    diacetone alcohol 1213.09
    N,N-dimethylaniline 709.69
    acrylonitrile 1252.45
    aniline 1297.01
    1,3-propanediol 793.37
    bromobenzene 2048.91
    dibromomethane 4413.44
    1,1,2,2-tetrachloroethane 2614.4
    2-methyl-cyclohexyl acetate 1806.64
    tetrabutyl urea 903.21
    diisobutyl methanol 2448.0
    2-phenylethanol 1445.65
    styrene 1232.85
    dioctyl adipate 1041.23
    dimethyl sulfate 243.97
    ethyl butyrate 3623.59
    methyl lactate 271.79
    butyl lactate 842.85
    diethyl carbonate 1323.72
    propanediol butyl ether 847.86
    triethyl orthoformate 2126.53
    p-tert-butyltoluene 1560.94
    methyl 4-tert-butylbenzoate 786.29
    morpholine 4953.17
    tert-butylamine 3513.62
    n-dodecanol 1006.67
    dimethoxymethane 1298.18
    ethylene carbonate 947.9
    cyrene 501.89
    2-ethoxyethyl acetate 1443.41
    2-ethylhexyl acetate 4583.82
    1,2,4-trichlorobenzene 1104.85
    4-methylpyridine 2914.99
    dibutyl ether 5121.87
    2,6-dimethyl-4-heptanol 2448.0
    DEF 1991.95
    dimethyl isosorbide 1537.73
    tetrachloroethylene 1834.07
    eugenol 614.01
    triacetin 834.86
    span 80 1237.03
    1,4-butanediol 296.46
    1,1-dichloroethane 3416.98
    2-methyl-1-pentanol 1913.25
    methyl formate 354.64
    2-methyl-1-butanol 2544.81
    n-decane 1503.79
    butyronitrile 3752.57
    3,7-dimethyl-1-octanol 2244.37
    1-chlorooctane 2534.8
    1-chlorotetradecane 872.67
    n-nonane 1977.26
    undecane 979.71
    tert-butylcyclohexane 1339.02
    cyclooctane 2490.14
    cyclopentanol 2655.96
    tetrahydropyran 9387.21
    tert-amyl methyl ether 2997.01
    2,5,8-trioxanonane 1452.13
    1-hexene 7433.1
    2-isopropoxyethanol 983.68
    2,2,2-trifluoroethanol 123.93
    methyl butyrate 1842.28

    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