1,3-Dimethyl-3-butenyl 2-methylpropionate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    80118-06-5

    Molecular formula
    C10H18O2

    SMILES
    CC(C)C(=O)OC(C)CC(=C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 88.92%
    Floral 64.68%
    Herbal 55.64%
    Green 46.48%
    Sweet 45.73%
    Rose 43.38%
    Apple 43.12%
    Tropical 42.05%
    Citrus 36.09%
    Chamomile 35.62%

     

    Flavor
    Fruity 77.96%
    Tropical 44.8%
    Berry 41.97%
    Sweet 38.55%
    Green 35.79%
    Pineapple 31.83%
    Herbal 28.7%
    Apple 26.96%
    Citrus 25.68%
    Lavender 25.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.09 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    181°C

    Flash point

    • 62.12 ˚C est.

  • Synonyms

    • 80118-06-5
    • 4-methylpent-4-en-2-yl 2-methylpropanoate
    • 1,3-Dimethylbut-3-enyl isobutyrate
    • W64T225HF4
    • 1,3-Dimethyl-3-butenyl 2-methylpropionate
    • EINECS 279-399-0
    • Propanoic acid, 2-methyl-, 1,3-dimethyl-3-butenyl ester
    • 2-Methyl-propanoic acid, 1,3-dimethyl-3-butenyl ester
    • Propanoic acid, 2-methyl-, 1,3-dimethyl-3-buten-1-yl ester
    • UNII-W64T225HF4
    • SCHEMBL876828
    • DTXSID5052547
    • JJWWUTCHOAKZPR-UHFFFAOYSA-N
    • AKOS006275105
    • NS00012272
    • Q27292375

  • Applications

    1,3-Dimethyl-3-butenyl 2-methylpropionate is primarily used as a fragrance ingredient, delivering a fruity/green aroma typical of prenyl-like esters. In perfumery and cosmetics, it serves as an odorant and may function as a scent fixative to help stabilize volatile notes. It is also encountered in household products such as air fresheners and scented cleaners as a fragrance additive. In industrial manufacturing, it can act as an intermediate for aroma compound synthesis and may be evaluated for specialty applications in coatings or inks where a specific note is desirable. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6595.55
    methanol 7292.0
    isopropanol 6953.63
    water 25.62
    ethyl acetate 3812.77
    n-propanol 6028.68
    acetone 5352.83
    n-butanol 6243.28
    acetonitrile 3723.97
    DMF 4321.73
    toluene 1894.77
    isobutanol 6154.79
    1,4-dioxane 5094.66
    methyl acetate 3369.78
    THF 6009.46
    2-butanone 4366.86
    n-pentanol 4273.23
    sec-butanol 7231.05
    n-hexane 2342.52
    ethylene glycol 1011.02
    NMP 4241.52
    cyclohexane 2241.67
    DMSO 2297.96
    n-butyl acetate 3016.2
    n-octanol 2155.17
    chloroform 9237.88
    n-propyl acetate 2212.86
    acetic acid 6655.5
    dichloromethane 5482.66
    cyclohexanone 6291.5
    propylene glycol 1739.55
    isopropyl acetate 2876.01
    DMAc 4485.24
    2-ethoxyethanol 3077.77
    isopentanol 6072.0
    n-heptane 677.79
    ethyl formate 2430.03
    1,2-dichloroethane 3696.27
    n-hexanol 5314.6
    2-methoxyethanol 4488.33
    isobutyl acetate 1653.17
    tetrachloromethane 2136.12
    n-pentyl acetate 1858.68
    transcutol 5324.67
    n-heptanol 1812.42
    ethylbenzene 1520.95
    MIBK 2461.6
    2-propoxyethanol 4150.53
    tert-butanol 7988.86
    MTBE 7437.4
    2-butoxyethanol 2087.62
    propionic acid 3942.78
    o-xylene 1493.75
    formic acid 1841.25
    diethyl ether 4906.12
    m-xylene 1587.45
    p-xylene 2150.95
    chlorobenzene 2172.15
    dimethyl carbonate 819.15
    n-octane 289.49
    formamide 1483.26
    cyclopentanone 4562.14
    2-pentanone 3837.97
    anisole 1770.79
    cyclopentyl methyl ether 4283.85
    gamma-butyrolactone 4242.12
    1-methoxy-2-propanol 3299.26
    pyridine 3387.45
    3-pentanone 2814.44
    furfural 2958.54
    n-dodecane 171.88
    diethylene glycol 2130.86
    diisopropyl ether 1924.76
    tert-amyl alcohol 8243.69
    acetylacetone 2659.03
    n-hexadecane 191.68
    acetophenone 1611.33
    methyl propionate 2364.26
    isopentyl acetate 2986.28
    trichloroethylene 6604.31
    n-nonanol 1627.0
    cyclohexanol 6261.4
    benzyl alcohol 1793.2
    2-ethylhexanol 2599.93
    isooctanol 1426.45
    dipropyl ether 1797.92
    1,2-dichlorobenzene 1660.87
    ethyl lactate 841.3
    propylene carbonate 2660.27
    n-methylformamide 2417.5
    2-pentanol 5083.83
    n-pentane 1686.58
    1-propoxy-2-propanol 2714.07
    1-methoxy-2-propyl acetate 1989.83
    2-(2-methoxypropoxy) propanol 1251.53
    mesitylene 1006.2
    ε-caprolactone 5142.49
    p-cymene 717.66
    epichlorohydrin 4514.87
    1,1,1-trichloroethane 5342.27
    2-aminoethanol 2181.03
    morpholine-4-carbaldehyde 3626.06
    sulfolane 3440.22
    2,2,4-trimethylpentane 831.29
    2-methyltetrahydrofuran 6782.13
    n-hexyl acetate 3211.97
    isooctane 505.32
    2-(2-butoxyethoxy)ethanol 1904.05
    sec-butyl acetate 1872.46
    tert-butyl acetate 2895.82
    decalin 857.47
    glycerin 1708.15
    diglyme 3096.34
    acrylic acid 2648.92
    isopropyl myristate 777.57
    n-butyric acid 6306.09
    acetyl acetate 2110.01
    di(2-ethylhexyl) phthalate 664.33
    ethyl propionate 1710.48
    nitromethane 5291.18
    1,2-diethoxyethane 2244.71
    benzonitrile 2087.64
    trioctyl phosphate 531.19
    1-bromopropane 3637.33
    gamma-valerolactone 5422.69
    n-decanol 1013.1
    triethyl phosphate 595.07
    4-methyl-2-pentanol 2553.91
    propionitrile 3207.32
    vinylene carbonate 2211.78
    1,1,2-trichlorotrifluoroethane 3328.17
    DMS 1337.52
    cumene 1035.8
    2-octanol 1512.25
    2-hexanone 2875.46
    octyl acetate 1072.18
    limonene 1369.31
    1,2-dimethoxyethane 4677.3
    ethyl orthosilicate 681.78
    tributyl phosphate 731.41
    diacetone alcohol 2705.19
    N,N-dimethylaniline 1266.53
    acrylonitrile 2627.36
    aniline 2166.8
    1,3-propanediol 3444.09
    bromobenzene 2082.84
    dibromomethane 4438.03
    1,1,2,2-tetrachloroethane 6608.65
    2-methyl-cyclohexyl acetate 1383.43
    tetrabutyl urea 797.79
    diisobutyl methanol 1057.24
    2-phenylethanol 1878.14
    styrene 1621.8
    dioctyl adipate 899.85
    dimethyl sulfate 1094.49
    ethyl butyrate 1490.9
    methyl lactate 1080.72
    butyl lactate 1238.78
    diethyl carbonate 884.65
    propanediol butyl ether 2020.73
    triethyl orthoformate 1125.77
    p-tert-butyltoluene 680.45
    methyl 4-tert-butylbenzoate 1108.65
    morpholine 6350.58
    tert-butylamine 5588.25
    n-dodecanol 682.06
    dimethoxymethane 2373.26
    ethylene carbonate 2244.88
    cyrene 1165.75
    2-ethoxyethyl acetate 1667.94
    2-ethylhexyl acetate 2235.65
    1,2,4-trichlorobenzene 1989.22
    4-methylpyridine 4582.49
    dibutyl ether 2024.37
    2,6-dimethyl-4-heptanol 1057.24
    DEF 3913.57
    dimethyl isosorbide 1797.48
    tetrachloroethylene 4696.07
    eugenol 1043.64
    triacetin 1523.39
    span 80 1332.38
    1,4-butanediol 1567.17
    1,1-dichloroethane 5585.36
    2-methyl-1-pentanol 4399.04
    methyl formate 1959.09
    2-methyl-1-butanol 6349.45
    n-decane 367.37
    butyronitrile 4219.0
    3,7-dimethyl-1-octanol 1793.71
    1-chlorooctane 1306.82
    1-chlorotetradecane 378.51
    n-nonane 414.44
    undecane 232.3
    tert-butylcyclohexane 865.5
    cyclooctane 631.22
    cyclopentanol 4715.19
    tetrahydropyran 7413.43
    tert-amyl methyl ether 5129.92
    2,5,8-trioxanonane 1604.8
    1-hexene 4365.06
    2-isopropoxyethanol 2296.02
    2,2,2-trifluoroethanol 1780.18
    methyl butyrate 2672.96

    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