2-Methylallyl butyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    7149-29-3

    Molecular formula
    C8H14O2

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

  • Odor profile

    Fragrance
    Fruity 95.38%
    Ethereal 62.13%
    Apple 57.16%
    Sweet 55.48%
    Pineapple 52.86%
    Pungent 41.66%
    Rummy 41.62%
    Banana 39.97%
    Sharp 38.48%
    Winey 37.66%

     

    Flavor
    Fruity 89.43%
    Sweet 63.82%
    Pineapple 49.75%
    Berry 47.16%
    Apple 42.93%
    Green 39.22%
    Tropical 37.1%
    Fruit 32.51%
    Banana 31.77%
    Fatty 29.88%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.54 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 168.00 °C. @ 760.00 mm Hg

    Flash point

    • 46.41 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • 2-Methylallyl butyrate
    • 7149-29-3
    • 2-methylprop-2-enyl butanoate
    • Methylallyl butyrate
    • Butyric acid, 2-methylallyl ester
    • 2-Methylallyl butanoate
    • 2-Methyl-2-propenyl butanoate
    • Butanoic acid, 2-methyl-2-propenyl ester
    • 2-Methyl-2-propenyl butyrate
    • FEMA No. 2678
    • 3HSQ94YKHE
    • 2-Methyl-2-propen-1-yl butyrate
    • UNII-3HSQ94YKHE
    • EINECS 230-474-6
    • 2-methylprop-2-en-1-yl butanoate
    • NSC 72030
    • NSC-72030
    • DTXSID30221706
    • 2-METHYLALLYL BUTYRATE [FHFI]
    • 2-METHYL-2-PROPENL-YL BUTYRATE
    • 2-PROPEN-1-OL, 2-METHYL-, BUTYRATE
    • BUTANOIC ACID, 2-METHYL-2-PROPEN-1-YL ESTER
    • methallyl butyrate
    • SCHEMBL1695533
    • DTXCID20144197
    • AHRIFIYGSJEEKU-UHFFFAOYSA-N
    • CHEBI:180293
    • 2-Methyl-1-propen-1-yl butyrate
    • NSC72030
    • LMFA07010722
    • DB-251599
    • NS00022721
    • Q27257229
    • 230-474-6

  • Applications

    2-Methylallyl butyrate is primarily used as a fragrance ingredient in perfumery and flavor applications, providing green/fruit notes and sometimes acting as a scent fixative; it may also be considered for use in cosmetics/personal care products as a fragrance component. It can be used as a fragrance or aroma additive in household products and cleaning formulations. Because it contains an allyl group, it can serve as a reactive intermediate or monomer in specialty polymers and coatings, and may function as a crosslinking or modifying component in coatings, inks, and adhesives. In industrial manufacturing, it is often evaluated as an intermediate for synthesis of other aroma compounds. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1308.2
    methanol 1628.58
    isopropanol 1231.11
    water 5.11
    ethyl acetate 425.32
    n-propanol 1011.87
    acetone 738.85
    n-butanol 1066.62
    acetonitrile 488.97
    DMF 976.05
    toluene 247.97
    isobutanol 893.35
    1,4-dioxane 923.89
    methyl acetate 464.03
    THF 1067.06
    2-butanone 624.81
    n-pentanol 911.37
    sec-butanol 1135.59
    n-hexane 228.68
    ethylene glycol 269.53
    NMP 747.54
    cyclohexane 197.39
    DMSO 605.48
    n-butyl acetate 630.33
    n-octanol 521.55
    chloroform 1498.77
    n-propyl acetate 374.13
    acetic acid 1173.62
    dichloromethane 926.17
    cyclohexanone 863.98
    propylene glycol 454.96
    isopropyl acetate 327.3
    DMAc 900.93
    2-ethoxyethanol 725.16
    isopentanol 993.56
    n-heptane 107.92
    ethyl formate 406.42
    1,2-dichloroethane 561.41
    n-hexanol 1084.4
    2-methoxyethanol 1000.17
    isobutyl acetate 300.97
    tetrachloromethane 210.03
    n-pentyl acetate 361.45
    transcutol 1545.53
    n-heptanol 450.16
    ethylbenzene 262.94
    MIBK 391.76
    2-propoxyethanol 968.72
    tert-butanol 1436.03
    MTBE 891.24
    2-butoxyethanol 551.39
    propionic acid 656.92
    o-xylene 228.24
    formic acid 338.9
    diethyl ether 533.67
    m-xylene 218.45
    p-xylene 367.39
    chlorobenzene 374.75
    dimethyl carbonate 136.65
    n-octane 55.53
    formamide 267.91
    cyclopentanone 751.08
    2-pentanone 519.53
    anisole 430.23
    cyclopentyl methyl ether 517.13
    gamma-butyrolactone 692.39
    1-methoxy-2-propanol 741.54
    pyridine 641.23
    3-pentanone 328.07
    furfural 755.31
    n-dodecane 54.15
    diethylene glycol 640.91
    diisopropyl ether 207.13
    tert-amyl alcohol 1298.84
    acetylacetone 418.22
    n-hexadecane 57.71
    acetophenone 432.38
    methyl propionate 306.33
    isopentyl acetate 620.74
    trichloroethylene 1057.34
    n-nonanol 419.91
    cyclohexanol 853.35
    benzyl alcohol 468.26
    2-ethylhexanol 591.5
    isooctanol 355.15
    dipropyl ether 345.35
    1,2-dichlorobenzene 357.66
    ethyl lactate 238.18
    propylene carbonate 503.9
    n-methylformamide 443.86
    2-pentanol 800.57
    n-pentane 158.89
    1-propoxy-2-propanol 723.23
    1-methoxy-2-propyl acetate 418.65
    2-(2-methoxypropoxy) propanol 539.47
    mesitylene 157.89
    ε-caprolactone 731.22
    p-cymene 193.5
    epichlorohydrin 782.97
    1,1,1-trichloroethane 650.95
    2-aminoethanol 551.0
    morpholine-4-carbaldehyde 808.54
    sulfolane 708.87
    2,2,4-trimethylpentane 108.53
    2-methyltetrahydrofuran 939.34
    n-hexyl acetate 623.19
    isooctane 80.78
    2-(2-butoxyethoxy)ethanol 648.65
    sec-butyl acetate 312.47
    tert-butyl acetate 402.32
    decalin 118.66
    glycerin 498.75
    diglyme 957.4
    acrylic acid 558.07
    isopropyl myristate 236.0
    n-butyric acid 962.84
    acetyl acetate 279.65
    di(2-ethylhexyl) phthalate 242.46
    ethyl propionate 295.06
    nitromethane 806.6
    1,2-diethoxyethane 500.93
    benzonitrile 518.98
    trioctyl phosphate 183.5
    1-bromopropane 503.01
    gamma-valerolactone 944.5
    n-decanol 306.19
    triethyl phosphate 185.85
    4-methyl-2-pentanol 459.58
    propionitrile 503.46
    vinylene carbonate 474.01
    1,1,2-trichlorotrifluoroethane 750.04
    DMS 298.29
    cumene 215.02
    2-octanol 357.57
    2-hexanone 554.36
    octyl acetate 314.11
    limonene 297.83
    1,2-dimethoxyethane 1067.93
    ethyl orthosilicate 200.31
    tributyl phosphate 228.08
    diacetone alcohol 543.49
    N,N-dimethylaniline 363.83
    acrylonitrile 520.26
    aniline 371.1
    1,3-propanediol 758.61
    bromobenzene 343.74
    dibromomethane 705.77
    1,1,2,2-tetrachloroethane 1018.72
    2-methyl-cyclohexyl acetate 368.36
    tetrabutyl urea 285.34
    diisobutyl methanol 309.22
    2-phenylethanol 485.89
    styrene 306.07
    dioctyl adipate 325.06
    dimethyl sulfate 203.81
    ethyl butyrate 352.13
    methyl lactate 243.34
    butyl lactate 341.7
    diethyl carbonate 260.6
    propanediol butyl ether 635.04
    triethyl orthoformate 277.84
    p-tert-butyltoluene 188.08
    methyl 4-tert-butylbenzoate 364.48
    morpholine 1040.92
    tert-butylamine 947.03
    n-dodecanol 234.12
    dimethoxymethane 429.33
    ethylene carbonate 394.21
    cyrene 389.89
    2-ethoxyethyl acetate 367.39
    2-ethylhexyl acetate 470.94
    1,2,4-trichlorobenzene 424.1
    4-methylpyridine 742.84
    dibutyl ether 416.93
    2,6-dimethyl-4-heptanol 309.22
    DEF 578.58
    dimethyl isosorbide 599.22
    tetrachloroethylene 677.11
    eugenol 415.0
    triacetin 409.52
    span 80 514.57
    1,4-butanediol 424.0
    1,1-dichloroethane 726.18
    2-methyl-1-pentanol 908.0
    methyl formate 336.23
    2-methyl-1-butanol 936.42
    n-decane 86.43
    butyronitrile 736.45
    3,7-dimethyl-1-octanol 513.38
    1-chlorooctane 274.53
    1-chlorotetradecane 119.7
    n-nonane 85.76
    undecane 65.5
    tert-butylcyclohexane 135.29
    cyclooctane 62.18
    cyclopentanol 780.55
    tetrahydropyran 960.17
    tert-amyl methyl ether 636.54
    2,5,8-trioxanonane 670.22
    1-hexene 591.96
    2-isopropoxyethanol 562.54
    2,2,2-trifluoroethanol 278.31
    methyl butyrate 481.42

    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%