2-Methylpentyl 2-methylcrotonate

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  • Identifiers

    CAS number
    83783-85-1

    Molecular formula
    C11H20O2

    SMILES
    CCCC(C)COC(=O)/C(=C/C)/C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 84.58%
    Floral 73.67%
    Herbal 65.03%
    Sweet 51.63%
    Rose 47.36%
    Apple 46.31%
    Chamomile 43.29%
    Green 42.48%
    Woody 39.86%
    Spicy 37.84%

     

    Flavor
    Fruity 59.7%
    Herbal 58.05%
    Sweet 52.05%
    Green 49.22%
    Spicy 45.74%
    Woody 41.97%
    Floral 39.79%
    Berry 33.88%
    Tropical 33.64%
    Herb 29.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.57 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point

    • 81.23 ˚C est.

  • Synonyms

    • 2-Methylpentyl 2-methylcrotonate
    • 83783-85-1
    • EINECS 280-820-5
    • 2-methylpentyl (E)-2-methylbut-2-enoate
    • 2-METHYLPENTYL (2E)-2-METHYLBUT-2-ENOATE
    • DTXSID601211595
    • NS00060293
    • 2-Butenoic acid, 2-methyl-, 2-methylpentyl ester, (E)-
    • 83783-85-1

  • Applications

    2-Methylpentyl 2-methylcrotonate (CAS 83783-85-1) is commonly used as a fragrance ingredient and odorant in perfumery and cosmetics formulations, where it can contribute green, fruity notes and act as a moderate fixative to extend fragrance longevity. It may be employed in household products as a scent component, providing aroma in cleaners and air-freshening products. In industrial manufacturing, it can serve as a solvent or processing aid, particularly in coatings, inks, and adhesives formulations containing fragrance components, and it is also used as an intermediate in the synthesis of other aroma compounds. Its use is formulation dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5772.27
    methanol 6312.06
    isopropanol 4444.15
    water 0.81
    ethyl acetate 5027.22
    n-propanol 4479.0
    acetone 5028.21
    n-butanol 5111.47
    acetonitrile 5002.88
    DMF 3717.94
    toluene 2358.51
    isobutanol 3897.68
    1,4-dioxane 5768.3
    methyl acetate 3333.19
    THF 4791.4
    2-butanone 4569.8
    n-pentanol 3467.57
    sec-butanol 4949.53
    n-hexane 1279.45
    ethylene glycol 296.68
    NMP 2623.17
    cyclohexane 1620.15
    DMSO 2209.78
    n-butyl acetate 5579.8
    n-octanol 1579.15
    chloroform 8795.99
    n-propyl acetate 3335.61
    acetic acid 3889.61
    dichloromethane 7240.98
    cyclohexanone 5911.78
    propylene glycol 585.77
    isopropyl acetate 3114.73
    DMAc 2766.28
    2-ethoxyethanol 2686.8
    isopentanol 5192.37
    n-heptane 437.6
    ethyl formate 2701.37
    1,2-dichloroethane 5097.32
    n-hexanol 4409.82
    2-methoxyethanol 3667.35
    isobutyl acetate 1973.31
    tetrachloromethane 1747.91
    n-pentyl acetate 2463.85
    transcutol 8036.45
    n-heptanol 1640.59
    ethylbenzene 1530.95
    MIBK 2266.27
    2-propoxyethanol 3891.33
    tert-butanol 5850.54
    MTBE 6895.68
    2-butoxyethanol 2104.03
    propionic acid 2283.78
    o-xylene 1371.92
    formic acid 814.98
    diethyl ether 6176.1
    m-xylene 1415.74
    p-xylene 2094.16
    chlorobenzene 3182.91
    dimethyl carbonate 592.45
    n-octane 208.55
    formamide 1221.92
    cyclopentanone 3784.91
    2-pentanone 4173.34
    anisole 2290.22
    cyclopentyl methyl ether 3133.2
    gamma-butyrolactone 3479.73
    1-methoxy-2-propanol 2670.9
    pyridine 5350.62
    3-pentanone 2524.5
    furfural 3363.51
    n-dodecane 129.7
    diethylene glycol 1509.21
    diisopropyl ether 1727.45
    tert-amyl alcohol 6190.55
    acetylacetone 2666.07
    n-hexadecane 152.91
    acetophenone 1883.86
    methyl propionate 2374.73
    isopentyl acetate 4771.68
    trichloroethylene 9122.03
    n-nonanol 1290.1
    cyclohexanol 4167.11
    benzyl alcohol 1783.51
    2-ethylhexanol 2662.06
    isooctanol 1437.18
    dipropyl ether 2192.24
    1,2-dichlorobenzene 2478.02
    ethyl lactate 745.0
    propylene carbonate 2283.79
    n-methylformamide 2098.8
    2-pentanol 3995.04
    n-pentane 908.92
    1-propoxy-2-propanol 2992.23
    1-methoxy-2-propyl acetate 2536.77
    2-(2-methoxypropoxy) propanol 1499.64
    mesitylene 873.02
    ε-caprolactone 4597.97
    p-cymene 847.94
    epichlorohydrin 5194.29
    1,1,1-trichloroethane 5832.61
    2-aminoethanol 1081.92
    morpholine-4-carbaldehyde 3162.74
    sulfolane 2693.92
    2,2,4-trimethylpentane 468.04
    2-methyltetrahydrofuran 5331.55
    n-hexyl acetate 3009.29
    isooctane 365.97
    2-(2-butoxyethoxy)ethanol 2313.2
    sec-butyl acetate 2384.15
    tert-butyl acetate 2770.1
    decalin 643.33
    glycerin 593.14
    diglyme 4060.72
    acrylic acid 1545.86
    isopropyl myristate 873.14
    n-butyric acid 4939.89
    acetyl acetate 2139.78
    di(2-ethylhexyl) phthalate 714.42
    ethyl propionate 2271.3
    nitromethane 4557.58
    1,2-diethoxyethane 4146.8
    benzonitrile 3068.95
    trioctyl phosphate 533.03
    1-bromopropane 4171.86
    gamma-valerolactone 4724.89
    n-decanol 851.54
    triethyl phosphate 687.4
    4-methyl-2-pentanol 2012.29
    propionitrile 3883.64
    vinylene carbonate 2258.14
    1,1,2-trichlorotrifluoroethane 2771.78
    DMS 1333.53
    cumene 989.7
    2-octanol 1345.38
    2-hexanone 3390.35
    octyl acetate 1127.56
    limonene 1427.54
    1,2-dimethoxyethane 5027.12
    ethyl orthosilicate 800.78
    tributyl phosphate 729.13
    diacetone alcohol 2171.78
    N,N-dimethylaniline 1382.09
    acrylonitrile 3473.8
    aniline 2400.47
    1,3-propanediol 2232.94
    bromobenzene 3477.1
    dibromomethane 5334.68
    1,1,2,2-tetrachloroethane 7149.68
    2-methyl-cyclohexyl acetate 1611.67
    tetrabutyl urea 809.88
    diisobutyl methanol 1117.86
    2-phenylethanol 2102.82
    styrene 1939.61
    dioctyl adipate 1006.04
    dimethyl sulfate 674.27
    ethyl butyrate 2553.75
    methyl lactate 660.86
    butyl lactate 1341.61
    diethyl carbonate 1400.17
    propanediol butyl ether 1616.24
    triethyl orthoformate 1442.49
    p-tert-butyltoluene 787.33
    methyl 4-tert-butylbenzoate 1257.64
    morpholine 6855.67
    tert-butylamine 4542.18
    n-dodecanol 590.61
    dimethoxymethane 2306.95
    ethylene carbonate 2023.71
    cyrene 966.57
    2-ethoxyethyl acetate 2485.4
    2-ethylhexyl acetate 3485.33
    1,2,4-trichlorobenzene 2523.2
    4-methylpyridine 6082.9
    dibutyl ether 2245.23
    2,6-dimethyl-4-heptanol 1117.86
    DEF 4030.69
    dimethyl isosorbide 2003.67
    tetrachloroethylene 4768.98
    eugenol 1305.62
    triacetin 1441.8
    span 80 1498.86
    1,4-butanediol 877.8
    1,1-dichloroethane 6598.05
    2-methyl-1-pentanol 3768.56
    methyl formate 1376.09
    2-methyl-1-butanol 4881.2
    n-decane 264.43
    butyronitrile 5584.35
    3,7-dimethyl-1-octanol 1685.92
    1-chlorooctane 1194.54
    1-chlorotetradecane 365.11
    n-nonane 275.99
    undecane 173.76
    tert-butylcyclohexane 598.75
    cyclooctane 407.63
    cyclopentanol 2700.61
    tetrahydropyran 7533.3
    tert-amyl methyl ether 4396.18
    2,5,8-trioxanonane 2105.99
    1-hexene 3527.42
    2-isopropoxyethanol 2120.83
    2,2,2-trifluoroethanol 772.19
    methyl butyrate 3665.89

    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