2-Methylhex-2-enyl butyrate

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  • Identifiers

    CAS number
    84753-11-7

    Molecular formula
    C11H20O2

    SMILES
    CCC/C=C(\C)/COC(=O)CCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 94.85%
    Green 69.2%
    Apple 68.27%
    Tropical 51.06%
    Pineapple 46.87%
    Pear 46.25%
    Herbal 45.73%
    Banana 42.89%
    Waxy 40.3%
    Sweet 38.71%

     

    Flavor
    Fruity 83.38%
    Green 69.58%
    Apple 60.17%
    Sweet 53.42%
    Pineapple 44.47%
    Tropical 44.28%
    Pear 42.83%
    Fruit 41.34%
    Banana 40.33%
    Waxy 35.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.86 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    212°C

    Flash point

    • 92.27 ˚C est.

  • Synonyms

    • 2-Methylhex-2-enyl butyrate
    • EINECS 283-858-0
    • 84753-11-7
    • RefChem:263846
    • 283-858-0
    • SJKVXBSVDPKUFG-CSKARUKUSA-N
    • 84753-11-7

  • Applications

    2-Methylhex-2-enyl butyrate (CAS 84753-11-7) is an unsaturated aliphatic ester derived from butyric acid and the 2-methylhex-2-enyl alcohol. In perfumery and cosmetics, it is used as a fragrance ingredient with fruity and green notes and can function as a minor fixative to extend aroma duration. It is also present in certain household products and air fresheners to contribute characteristic odors. As a flexible aroma chemical, it may be used as a flavor/aroma ingredient in select food applications, within regulatory limits. Additionally, it serves as an intermediate in organic synthesis for fragrance-related intermediates and specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4538.44
    methanol 4106.74
    isopropanol 4591.4
    water 0.47
    ethyl acetate 3535.97
    n-propanol 3609.74
    acetone 5837.76
    n-butanol 3577.45
    acetonitrile 3530.68
    DMF 4676.2
    toluene 1410.67
    isobutanol 3382.07
    1,4-dioxane 3776.32
    methyl acetate 2633.15
    THF 4671.07
    2-butanone 3930.93
    n-pentanol 2571.44
    sec-butanol 4322.13
    n-hexane 1269.67
    ethylene glycol 368.77
    NMP 2998.64
    cyclohexane 1236.43
    DMSO 3389.76
    n-butyl acetate 3258.05
    n-octanol 1380.47
    chloroform 7216.85
    n-propyl acetate 2257.82
    acetic acid 3151.84
    dichloromethane 5480.62
    cyclohexanone 4897.25
    propylene glycol 768.53
    isopropyl acetate 2383.07
    DMAc 3122.19
    2-ethoxyethanol 2047.93
    isopentanol 3632.25
    n-heptane 357.68
    ethyl formate 1822.04
    1,2-dichloroethane 4024.8
    n-hexanol 2872.71
    2-methoxyethanol 2903.47
    isobutyl acetate 1402.14
    tetrachloromethane 1194.19
    n-pentyl acetate 1699.77
    transcutol 6120.27
    n-heptanol 1137.16
    ethylbenzene 1041.84
    MIBK 2049.97
    2-propoxyethanol 2621.11
    tert-butanol 5301.94
    MTBE 5098.94
    2-butoxyethanol 1566.63
    propionic acid 2152.72
    o-xylene 981.32
    formic acid 536.64
    diethyl ether 4181.79
    m-xylene 1069.6
    p-xylene 1379.73
    chlorobenzene 2091.04
    dimethyl carbonate 643.16
    n-octane 190.48
    formamide 745.33
    cyclopentanone 4013.52
    2-pentanone 3662.92
    anisole 1586.16
    cyclopentyl methyl ether 2690.97
    gamma-butyrolactone 3398.96
    1-methoxy-2-propanol 2449.17
    pyridine 3416.07
    3-pentanone 2173.75
    furfural 2567.11
    n-dodecane 136.54
    diethylene glycol 1353.19
    diisopropyl ether 1311.63
    tert-amyl alcohol 4692.78
    acetylacetone 2650.52
    n-hexadecane 160.27
    acetophenone 1435.95
    methyl propionate 1964.5
    isopentyl acetate 2791.61
    trichloroethylene 6911.06
    n-nonanol 1104.79
    cyclohexanol 3306.24
    benzyl alcohol 1261.76
    2-ethylhexanol 1629.76
    isooctanol 1006.82
    dipropyl ether 1629.32
    1,2-dichlorobenzene 1741.05
    ethyl lactate 696.7
    propylene carbonate 2051.64
    n-methylformamide 1795.8
    2-pentanol 3291.95
    n-pentane 763.67
    1-propoxy-2-propanol 2113.09
    1-methoxy-2-propyl acetate 1811.4
    2-(2-methoxypropoxy) propanol 1293.14
    mesitylene 725.75
    ε-caprolactone 3537.78
    p-cymene 576.98
    epichlorohydrin 4126.03
    1,1,1-trichloroethane 4530.86
    2-aminoethanol 1071.18
    morpholine-4-carbaldehyde 2683.31
    sulfolane 3439.54
    2,2,4-trimethylpentane 347.15
    2-methyltetrahydrofuran 4530.97
    n-hexyl acetate 2486.86
    isooctane 288.35
    2-(2-butoxyethoxy)ethanol 1867.32
    sec-butyl acetate 1585.45
    tert-butyl acetate 2232.49
    decalin 504.91
    glycerin 797.61
    diglyme 2984.21
    acrylic acid 1524.7
    isopropyl myristate 810.56
    n-butyric acid 3916.26
    acetyl acetate 1691.62
    di(2-ethylhexyl) phthalate 613.82
    ethyl propionate 1687.09
    nitromethane 3747.72
    1,2-diethoxyethane 2677.64
    benzonitrile 2012.68
    trioctyl phosphate 479.61
    1-bromopropane 3438.82
    gamma-valerolactone 3894.68
    n-decanol 764.52
    triethyl phosphate 562.54
    4-methyl-2-pentanol 1546.28
    propionitrile 2939.78
    vinylene carbonate 1814.88
    1,1,2-trichlorotrifluoroethane 2682.37
    DMS 1207.24
    cumene 690.31
    2-octanol 1010.85
    2-hexanone 2599.66
    octyl acetate 1002.61
    limonene 1011.1
    1,2-dimethoxyethane 3724.03
    ethyl orthosilicate 602.82
    tributyl phosphate 650.25
    diacetone alcohol 2061.38
    N,N-dimethylaniline 1078.5
    acrylonitrile 2584.79
    aniline 1628.81
    1,3-propanediol 1819.95
    bromobenzene 2394.97
    dibromomethane 4378.91
    1,1,2,2-tetrachloroethane 6203.28
    2-methyl-cyclohexyl acetate 1144.82
    tetrabutyl urea 803.53
    diisobutyl methanol 876.5
    2-phenylethanol 1335.45
    styrene 1311.94
    dioctyl adipate 972.92
    dimethyl sulfate 920.92
    ethyl butyrate 1635.32
    methyl lactate 768.8
    butyl lactate 1126.53
    diethyl carbonate 953.74
    propanediol butyl ether 1563.9
    triethyl orthoformate 974.99
    p-tert-butyltoluene 566.75
    methyl 4-tert-butylbenzoate 1129.54
    morpholine 4945.88
    tert-butylamine 3614.0
    n-dodecanol 550.54
    dimethoxymethane 2057.42
    ethylene carbonate 1652.65
    cyrene 911.5
    2-ethoxyethyl acetate 1689.75
    2-ethylhexyl acetate 1993.94
    1,2,4-trichlorobenzene 1863.95
    4-methylpyridine 3866.69
    dibutyl ether 1939.4
    2,6-dimethyl-4-heptanol 876.5
    DEF 3431.5
    dimethyl isosorbide 1674.77
    tetrachloroethylene 3704.83
    eugenol 1105.08
    triacetin 1455.4
    span 80 1335.19
    1,4-butanediol 824.64
    1,1-dichloroethane 5383.88
    2-methyl-1-pentanol 2500.0
    methyl formate 1242.67
    2-methyl-1-butanol 3344.94
    n-decane 257.98
    butyronitrile 4072.79
    3,7-dimethyl-1-octanol 1311.67
    1-chlorooctane 1026.49
    1-chlorotetradecane 349.35
    n-nonane 277.29
    undecane 179.94
    tert-butylcyclohexane 481.54
    cyclooctane 322.31
    cyclopentanol 2742.13
    tetrahydropyran 5556.85
    tert-amyl methyl ether 3137.36
    2,5,8-trioxanonane 1820.21
    1-hexene 3121.6
    2-isopropoxyethanol 1704.09
    2,2,2-trifluoroethanol 676.53
    methyl butyrate 2705.27

    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