3-Methylbut-2-en-1-yl 2-methylpentanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    94288-01-4

    Molecular formula
    C11H20O2

    SMILES
    CCCC(C)C(=O)OCC=C(C)C

  • Odor profile

    Fragrance
    Fruity 93.48%
    Apple 64.15%
    Herbal 48.51%
    Floral 43.04%
    Tropical 41.5%
    Green 41.3%
    Winey 40.76%
    Pineapple 40.35%
    Sweet 36.51%
    Rose 35.67%

     

    Flavor
    Fruity 81.1%
    Green 65.13%
    Sweet 61.59%
    Apple 49.84%
    Tropical 48.29%
    Berry 42.64%
    Herbal 35.07%
    Pear 32.29%
    Floral 31.59%
    Waxy 30.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.9 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 84.49 ˚C est.

  • Synonyms

    • 94288-01-4
    • 3-Methylbut-2-en-1-yl 2-methylpentanoate
    • DTXSID80549366
    • SCHEMBL10882435
    • DTXCID40500150
    • 2-methylpentanoic acid prenylester
    • RUIICDKHOPKMOJ-UHFFFAOYSA-N

  • Applications

    3-Methylbut-2-en-1-yl 2-methylpentanoate (CAS 94288-01-4) is commonly evaluated for use in perfumery and cosmetics as a fragrance ingredient and aroma compound, often contributing green or fruity notes and sometimes functioning as a fixative; it may be used as a flavor note in select aroma-focused products; it can act as an odorant in household products; in industrial manufacturing it serves as an intermediate for synthesizing other fragrance-related esters; and it is occasionally used in coatings and inks as an odorant additive, with use limited by regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4096.97
    methanol 3995.26
    isopropanol 3713.69
    water 1.55
    ethyl acetate 3223.09
    n-propanol 3010.86
    acetone 3369.24
    n-butanol 3324.66
    acetonitrile 2794.85
    DMF 2727.35
    toluene 1278.72
    isobutanol 2881.59
    1,4-dioxane 4392.08
    methyl acetate 2159.31
    THF 4251.39
    2-butanone 2718.43
    n-pentanol 2233.48
    sec-butanol 3579.36
    n-hexane 1048.39
    ethylene glycol 299.29
    NMP 2316.19
    cyclohexane 1378.58
    DMSO 1558.37
    n-butyl acetate 2988.44
    n-octanol 1102.72
    chloroform 6608.12
    n-propyl acetate 1844.16
    acetic acid 3327.18
    dichloromethane 4670.35
    cyclohexanone 4017.12
    propylene glycol 609.81
    isopropyl acetate 2137.59
    DMAc 2266.99
    2-ethoxyethanol 1833.38
    isopentanol 3320.4
    n-heptane 328.85
    ethyl formate 1651.36
    1,2-dichloroethane 3316.18
    n-hexanol 2721.96
    2-methoxyethanol 2575.17
    isobutyl acetate 1210.27
    tetrachloromethane 1306.37
    n-pentyl acetate 1396.01
    transcutol 5674.86
    n-heptanol 1072.59
    ethylbenzene 913.42
    MIBK 1556.12
    2-propoxyethanol 2519.42
    tert-butanol 4788.88
    MTBE 4755.0
    2-butoxyethanol 1422.66
    propionic acid 1818.74
    o-xylene 881.27
    formic acid 693.79
    diethyl ether 3737.62
    m-xylene 927.94
    p-xylene 1328.71
    chlorobenzene 1889.87
    dimethyl carbonate 458.02
    n-octane 147.91
    formamide 910.58
    cyclopentanone 2881.07
    2-pentanone 2409.61
    anisole 1392.84
    cyclopentyl methyl ether 2331.97
    gamma-butyrolactone 2800.44
    1-methoxy-2-propanol 1982.71
    pyridine 3104.48
    3-pentanone 1585.8
    furfural 2224.46
    n-dodecane 106.16
    diethylene glycol 1213.31
    diisopropyl ether 1199.88
    tert-amyl alcohol 4402.45
    acetylacetone 1979.31
    n-hexadecane 122.83
    acetophenone 1223.56
    methyl propionate 1540.56
    isopentyl acetate 2743.36
    trichloroethylene 6172.29
    n-nonanol 940.45
    cyclohexanol 3189.17
    benzyl alcohol 1082.34
    2-ethylhexanol 1569.11
    isooctanol 915.9
    dipropyl ether 1475.77
    1,2-dichlorobenzene 1569.47
    ethyl lactate 551.37
    propylene carbonate 1717.08
    n-methylformamide 1297.38
    2-pentanol 2745.89
    n-pentane 661.22
    1-propoxy-2-propanol 1985.68
    1-methoxy-2-propyl acetate 1702.85
    2-(2-methoxypropoxy) propanol 1199.57
    mesitylene 625.48
    ε-caprolactone 3248.59
    p-cymene 555.22
    epichlorohydrin 3569.43
    1,1,1-trichloroethane 4164.87
    2-aminoethanol 912.78
    morpholine-4-carbaldehyde 2531.89
    sulfolane 2232.71
    2,2,4-trimethylpentane 358.52
    2-methyltetrahydrofuran 4080.21
    n-hexyl acetate 2043.41
    isooctane 277.22
    2-(2-butoxyethoxy)ethanol 1715.83
    sec-butyl acetate 1488.52
    tert-butyl acetate 1970.63
    decalin 499.84
    glycerin 635.39
    diglyme 2842.1
    acrylic acid 1214.71
    isopropyl myristate 651.69
    n-butyric acid 3677.63
    acetyl acetate 1652.38
    di(2-ethylhexyl) phthalate 537.78
    ethyl propionate 1425.93
    nitromethane 3263.49
    1,2-diethoxyethane 2457.31
    benzonitrile 1690.65
    trioctyl phosphate 395.26
    1-bromopropane 2597.32
    gamma-valerolactone 3481.57
    n-decanol 645.48
    triethyl phosphate 512.91
    4-methyl-2-pentanol 1419.36
    propionitrile 2142.33
    vinylene carbonate 1546.36
    1,1,2-trichlorotrifluoroethane 2282.91
    DMS 985.62
    cumene 654.08
    2-octanol 857.29
    2-hexanone 1927.74
    octyl acetate 808.27
    limonene 951.87
    1,2-dimethoxyethane 3363.0
    ethyl orthosilicate 579.84
    tributyl phosphate 545.85
    diacetone alcohol 1721.31
    N,N-dimethylaniline 917.18
    acrylonitrile 1797.04
    aniline 1447.88
    1,3-propanediol 1717.42
    bromobenzene 2058.76
    dibromomethane 3493.76
    1,1,2,2-tetrachloroethane 5524.18
    2-methyl-cyclohexyl acetate 1119.12
    tetrabutyl urea 614.95
    diisobutyl methanol 784.39
    2-phenylethanol 1282.94
    styrene 1088.65
    dioctyl adipate 781.46
    dimethyl sulfate 583.87
    ethyl butyrate 1538.09
    methyl lactate 537.51
    butyl lactate 893.93
    diethyl carbonate 925.91
    propanediol butyl ether 1192.75
    triethyl orthoformate 966.29
    p-tert-butyltoluene 524.78
    methyl 4-tert-butylbenzoate 911.61
    morpholine 5330.99
    tert-butylamine 3534.93
    n-dodecanol 464.93
    dimethoxymethane 1520.64
    ethylene carbonate 1498.17
    cyrene 797.93
    2-ethoxyethyl acetate 1460.39
    2-ethylhexyl acetate 2023.88
    1,2,4-trichlorobenzene 1736.05
    4-methylpyridine 3417.58
    dibutyl ether 1493.11
    2,6-dimethyl-4-heptanol 784.39
    DEF 2600.94
    dimethyl isosorbide 1628.73
    tetrachloroethylene 3537.01
    eugenol 920.18
    triacetin 1124.21
    span 80 1179.29
    1,4-butanediol 687.22
    1,1-dichloroethane 4375.73
    2-methyl-1-pentanol 2331.82
    methyl formate 921.47
    2-methyl-1-butanol 3096.52
    n-decane 201.66
    butyronitrile 3114.01
    3,7-dimethyl-1-octanol 1137.32
    1-chlorooctane 796.13
    1-chlorotetradecane 283.65
    n-nonane 205.96
    undecane 140.38
    tert-butylcyclohexane 476.11
    cyclooctane 337.81
    cyclopentanol 2271.13
    tetrahydropyran 5465.26
    tert-amyl methyl ether 2942.14
    2,5,8-trioxanonane 1604.48
    1-hexene 2364.61
    2-isopropoxyethanol 1494.88
    2,2,2-trifluoroethanol 768.94
    methyl butyrate 2198.71

    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

Botanical

Name CAS Botanical Proportion
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%