5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl 2-methylbutanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    17609-96-0

    Molecular formula
    C15H26O2

    SMILES
    CCC(C)C(=O)OCC(CC=C(C)C)C(=C)C

  • Odor profile

    Fragrance
    Fruity 86.82%
    Herbal 58.04%
    Sweet 53.81%
    Rose 51.42%
    Floral 49.66%
    Citrus 40.58%
    Apple 39.95%
    Spicy 38.78%
    Tropical 36.37%
    Woody 35.91%

     

    Flavor
    Fruity 46.89%
    Herbal 46.58%
    Sweet 37.78%
    Green 34.38%
    Bergamot 29.64%
    Herb 28.49%
    Woody 27.66%
    Berry 26.96%
    Tropical 26.59%
    Rose 23.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.61 (neutral)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 108.19 ˚C est.

  • Synonyms

    • DTXSID50775771
    • 17609-96-0
    • 5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl 2-methylbutanoate
    • SCHEMBL1349870
    • DTXCID80726514
    • WBUQEUATHWMFQO-UHFFFAOYSA-N
    • (R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl 2-methylbutanoate

  • Applications

    5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl 2-methylbutanoate (CAS 17609-96-0) is primarily used as a fragrance ingredient and odorant in perfumery and cosmetic formulations, contributing distinctive green and woody notes through its alkenyl-containing ester structure. It may function as a processing component in household products (air fresheners, cleaners) and as a fixative or lasting scent medium in fragrance blends. In industrial manufacturing, it is evaluated as an aroma additive for polymers, coatings, and inks to impart or retain fragrance after processing. It can also serve as an intermediate in organic synthesis for other fine chemicals and may appear in flavor/aroma applications under appropriate regulatory approvals. Formulation use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5314.12
    methanol 3492.47
    isopropanol 5483.53
    water 0.82
    ethyl acetate 6484.11
    n-propanol 3925.68
    acetone 4391.34
    n-butanol 4401.85
    acetonitrile 3387.75
    DMF 3176.79
    toluene 2405.79
    isobutanol 3809.91
    1,4-dioxane 7036.56
    methyl acetate 3484.68
    THF 7027.51
    2-butanone 4347.53
    n-pentanol 3038.79
    sec-butanol 5702.13
    n-hexane 1142.05
    ethylene glycol 181.11
    NMP 2514.38
    cyclohexane 1662.63
    DMSO 1841.95
    n-butyl acetate 4177.14
    n-octanol 1605.29
    chloroform 8671.75
    n-propyl acetate 3156.63
    acetic acid 2711.71
    dichloromethane 6887.18
    cyclohexanone 5200.92
    propylene glycol 689.12
    isopropyl acetate 4164.41
    DMAc 2973.74
    2-ethoxyethanol 2698.77
    isopentanol 4606.1
    n-heptane 435.54
    ethyl formate 2204.79
    1,2-dichloroethane 4344.18
    n-hexanol 3393.22
    2-methoxyethanol 3308.86
    isobutyl acetate 1981.82
    tetrachloromethane 1569.19
    n-pentyl acetate 2110.4
    transcutol 9197.57
    n-heptanol 1479.69
    ethylbenzene 1614.67
    MIBK 2469.43
    2-propoxyethanol 3275.12
    tert-butanol 7501.6
    MTBE 8778.86
    2-butoxyethanol 2009.92
    propionic acid 1895.63
    o-xylene 1516.4
    formic acid 465.37
    diethyl ether 6334.3
    m-xylene 1642.0
    p-xylene 2310.53
    chlorobenzene 2521.05
    dimethyl carbonate 709.32
    n-octane 208.6
    formamide 842.78
    cyclopentanone 3954.89
    2-pentanone 3998.11
    anisole 2373.57
    cyclopentyl methyl ether 3781.02
    gamma-butyrolactone 3662.75
    1-methoxy-2-propanol 3316.4
    pyridine 4359.29
    3-pentanone 2498.87
    furfural 2737.88
    n-dodecane 137.28
    diethylene glycol 1401.36
    diisopropyl ether 2186.8
    tert-amyl alcohol 7325.28
    acetylacetone 3503.65
    n-hexadecane 160.53
    acetophenone 1820.83
    methyl propionate 2707.6
    isopentyl acetate 3825.87
    trichloroethylene 8000.42
    n-nonanol 1362.84
    cyclohexanol 4187.72
    benzyl alcohol 1707.6
    2-ethylhexanol 2077.77
    isooctanol 1384.82
    dipropyl ether 2321.68
    1,2-dichlorobenzene 2047.52
    ethyl lactate 825.92
    propylene carbonate 2437.32
    n-methylformamide 1360.59
    2-pentanol 4346.41
    n-pentane 777.2
    1-propoxy-2-propanol 2881.9
    1-methoxy-2-propyl acetate 2755.12
    2-(2-methoxypropoxy) propanol 1805.49
    mesitylene 1039.52
    ε-caprolactone 4598.3
    p-cymene 809.12
    epichlorohydrin 5226.59
    1,1,1-trichloroethane 5879.85
    2-aminoethanol 856.77
    morpholine-4-carbaldehyde 3220.94
    sulfolane 2647.36
    2,2,4-trimethylpentane 522.72
    2-methyltetrahydrofuran 7376.69
    n-hexyl acetate 3001.4
    isooctane 390.54
    2-(2-butoxyethoxy)ethanol 2696.37
    sec-butyl acetate 2584.37
    tert-butyl acetate 3824.08
    decalin 670.08
    glycerin 632.69
    diglyme 4459.14
    acrylic acid 1039.07
    isopropyl myristate 1040.7
    n-butyric acid 4569.03
    acetyl acetate 2671.82
    di(2-ethylhexyl) phthalate 782.27
    ethyl propionate 2670.02
    nitromethane 3427.88
    1,2-diethoxyethane 4165.05
    benzonitrile 2072.82
    trioctyl phosphate 571.71
    1-bromopropane 3486.62
    gamma-valerolactone 4837.38
    n-decanol 936.41
    triethyl phosphate 780.19
    4-methyl-2-pentanol 2249.77
    propionitrile 2606.04
    vinylene carbonate 1979.8
    1,1,2-trichlorotrifluoroethane 2476.56
    DMS 1413.9
    cumene 1068.86
    2-octanol 1391.02
    2-hexanone 2856.49
    octyl acetate 1308.28
    limonene 1405.83
    1,2-dimethoxyethane 4804.44
    ethyl orthosilicate 873.68
    tributyl phosphate 761.8
    diacetone alcohol 2906.07
    N,N-dimethylaniline 1485.37
    acrylonitrile 1925.09
    aniline 2295.89
    1,3-propanediol 1974.47
    bromobenzene 2917.42
    dibromomethane 4906.26
    1,1,2,2-tetrachloroethane 6818.45
    2-methyl-cyclohexyl acetate 1765.83
    tetrabutyl urea 834.1
    diisobutyl methanol 1124.19
    2-phenylethanol 1796.79
    styrene 1846.24
    dioctyl adipate 1246.34
    dimethyl sulfate 829.83
    ethyl butyrate 2551.08
    methyl lactate 773.77
    butyl lactate 1288.72
    diethyl carbonate 1437.23
    propanediol butyl ether 1692.17
    triethyl orthoformate 1577.78
    p-tert-butyltoluene 800.2
    methyl 4-tert-butylbenzoate 1489.41
    morpholine 8535.53
    tert-butylamine 5333.65
    n-dodecanol 677.32
    dimethoxymethane 2253.78
    ethylene carbonate 1981.78
    cyrene 1179.35
    2-ethoxyethyl acetate 2372.29
    2-ethylhexyl acetate 2712.75
    1,2,4-trichlorobenzene 2378.93
    4-methylpyridine 4977.68
    dibutyl ether 2329.84
    2,6-dimethyl-4-heptanol 1124.19
    DEF 3740.26
    dimethyl isosorbide 2632.78
    tetrachloroethylene 4161.73
    eugenol 1374.45
    triacetin 1764.51
    span 80 1776.72
    1,4-butanediol 734.7
    1,1-dichloroethane 5931.2
    2-methyl-1-pentanol 3277.15
    methyl formate 948.72
    2-methyl-1-butanol 4214.73
    n-decane 272.05
    butyronitrile 3783.91
    3,7-dimethyl-1-octanol 1783.47
    1-chlorooctane 1145.71
    1-chlorotetradecane 386.01
    n-nonane 275.51
    undecane 184.58
    tert-butylcyclohexane 652.47
    cyclooctane 435.2
    cyclopentanol 2906.31
    tetrahydropyran 8950.07
    tert-amyl methyl ether 5112.08
    2,5,8-trioxanonane 2590.88
    1-hexene 2968.6
    2-isopropoxyethanol 2263.3
    2,2,2-trifluoroethanol 608.41
    methyl butyrate 3512.32

    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