3-Methyl-4-pentenyl 2-methylisocrotonate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    84110-41-8

    Molecular formula
    C11H18O2

    SMILES
    C/C=C(/C)\C(=O)OCCC(C)C=C

  • Odor profile

    Fragrance
    Fruity 80.84%
    Green 77.79%
    Floral 52.27%
    Herbal 51.9%
    Fresh 40.32%
    Earthy 38.79%
    Sweet 37.06%
    Apple 34.56%
    Tropical 33.25%
    Woody 32.75%

     

    Flavor
    Fruity 63.02%
    Floral 40.43%
    Herbal 39.85%
    Spicy 38.06%
    Sweet 36.98%
    Green 34.84%
    Tropical 34.14%
    Woody 32.5%
    Berry 30.33%
    Rose 27.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.74 (neutral)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point

    • 83.33 ˚C est.

  • Synonyms

    • 3-Methyl-4-pentenyl 2-methylisocrotonate
    • 84110-41-8
    • EINECS 282-176-0
    • 3-Methyl-4-Pentenyl Angelate
    • SCHEMBL10602490
    • DTXSID201190618
    • NS00058483
    • 2-Butenoic acid, 2-methyl-, 3-methyl-4-pentenyl ester, (Z)-

  • Applications

    3-Methyl-4-pentenyl 2-methylisocrotonate (CAS 84110-41-8) is commonly used as an intermediate in fragrance synthesis and as an odorant/fragrance ingredient; it is often evaluated as a fragrance component or precursor for the synthesis of aroma compounds; in cosmetics and personal care, it may serve as a fragrance component or precursor for formulations; in coatings, inks, and adhesives, it can function as a reactive monomer or functional additive for polymer systems; in household cleaning products, it may be employed as a distinctive fragrance additive; in plastics and polymers, it is evaluated as a monomer or co-monomer in specialty polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1275.57
    methanol 1188.45
    isopropanol 1104.02
    water 0.4
    ethyl acetate 1772.19
    n-propanol 1108.14
    acetone 1735.35
    n-butanol 1156.53
    acetonitrile 1388.42
    DMF 1510.63
    toluene 848.96
    isobutanol 978.16
    1,4-dioxane 2079.13
    methyl acetate 1435.16
    THF 2021.68
    2-butanone 1813.58
    n-pentanol 912.21
    sec-butanol 1406.0
    n-hexane 312.49
    ethylene glycol 74.54
    NMP 1283.59
    cyclohexane 422.91
    DMSO 1003.33
    n-butyl acetate 1471.8
    n-octanol 408.73
    chloroform 3622.12
    n-propyl acetate 1103.9
    acetic acid 1227.71
    dichloromethane 2916.5
    cyclohexanone 2113.61
    propylene glycol 188.45
    isopropyl acetate 1068.8
    DMAc 1427.49
    2-ethoxyethanol 866.08
    isopentanol 1215.42
    n-heptane 84.89
    ethyl formate 650.31
    1,2-dichloroethane 2132.95
    n-hexanol 1034.61
    2-methoxyethanol 1079.2
    isobutyl acetate 666.98
    tetrachloromethane 519.85
    n-pentyl acetate 668.5
    transcutol 3424.16
    n-heptanol 401.08
    ethylbenzene 569.09
    MIBK 833.49
    2-propoxyethanol 1107.9
    tert-butanol 1750.2
    MTBE 2241.84
    2-butoxyethanol 595.68
    propionic acid 851.81
    o-xylene 559.87
    formic acid 229.91
    diethyl ether 1940.67
    m-xylene 582.96
    p-xylene 769.46
    chlorobenzene 1197.92
    dimethyl carbonate 285.86
    n-octane 46.37
    formamide 432.0
    cyclopentanone 1782.56
    2-pentanone 1411.03
    anisole 972.02
    cyclopentyl methyl ether 1252.47
    gamma-butyrolactone 1690.94
    1-methoxy-2-propanol 890.73
    pyridine 1861.52
    3-pentanone 1029.86
    furfural 1317.83
    n-dodecane 36.51
    diethylene glycol 507.42
    diisopropyl ether 563.68
    tert-amyl alcohol 1939.06
    acetylacetone 1154.64
    n-hexadecane 42.76
    acetophenone 842.77
    methyl propionate 939.67
    isopentyl acetate 1329.4
    trichloroethylene 3805.34
    n-nonanol 362.71
    cyclohexanol 1198.28
    benzyl alcohol 649.45
    2-ethylhexanol 622.16
    isooctanol 366.74
    dipropyl ether 581.82
    1,2-dichlorobenzene 1027.53
    ethyl lactate 304.1
    propylene carbonate 982.65
    n-methylformamide 645.33
    2-pentanol 1042.21
    n-pentane 213.46
    1-propoxy-2-propanol 874.21
    1-methoxy-2-propyl acetate 998.36
    2-(2-methoxypropoxy) propanol 655.92
    mesitylene 373.33
    ε-caprolactone 1832.86
    p-cymene 281.11
    epichlorohydrin 2294.68
    1,1,1-trichloroethane 2318.24
    2-aminoethanol 290.72
    morpholine-4-carbaldehyde 1323.78
    sulfolane 1461.96
    2,2,4-trimethylpentane 147.76
    2-methyltetrahydrofuran 2161.2
    n-hexyl acetate 948.59
    isooctane 117.83
    2-(2-butoxyethoxy)ethanol 945.29
    sec-butyl acetate 851.2
    tert-butyl acetate 1114.85
    decalin 204.61
    glycerin 218.83
    diglyme 1541.18
    acrylic acid 604.88
    isopropyl myristate 333.97
    n-butyric acid 1419.24
    acetyl acetate 881.25
    di(2-ethylhexyl) phthalate 289.86
    ethyl propionate 866.86
    nitromethane 1695.2
    1,2-diethoxyethane 1388.37
    benzonitrile 961.07
    trioctyl phosphate 197.9
    1-bromopropane 1528.5
    gamma-valerolactone 1860.59
    n-decanol 255.34
    triethyl phosphate 296.95
    4-methyl-2-pentanol 575.38
    propionitrile 1103.77
    vinylene carbonate 899.69
    1,1,2-trichlorotrifluoroethane 1092.59
    DMS 626.77
    cumene 373.14
    2-octanol 334.15
    2-hexanone 1141.59
    octyl acetate 415.92
    limonene 438.76
    1,2-dimethoxyethane 1662.76
    ethyl orthosilicate 310.65
    tributyl phosphate 292.32
    diacetone alcohol 936.85
    N,N-dimethylaniline 580.82
    acrylonitrile 1090.81
    aniline 847.08
    1,3-propanediol 580.27
    bromobenzene 1325.85
    dibromomethane 2112.52
    1,1,2,2-tetrachloroethane 3149.46
    2-methyl-cyclohexyl acetate 621.65
    tetrabutyl urea 329.73
    diisobutyl methanol 344.02
    2-phenylethanol 704.19
    styrene 710.01
    dioctyl adipate 424.79
    dimethyl sulfate 417.17
    ethyl butyrate 819.27
    methyl lactate 288.67
    butyl lactate 439.02
    diethyl carbonate 526.49
    propanediol butyl ether 530.81
    triethyl orthoformate 501.05
    p-tert-butyltoluene 273.56
    methyl 4-tert-butylbenzoate 560.77
    morpholine 2436.69
    tert-butylamine 1222.71
    n-dodecanol 187.87
    dimethoxymethane 820.67
    ethylene carbonate 770.77
    cyrene 506.74
    2-ethoxyethyl acetate 870.05
    2-ethylhexyl acetate 993.65
    1,2,4-trichlorobenzene 1104.26
    4-methylpyridine 2009.89
    dibutyl ether 665.29
    2,6-dimethyl-4-heptanol 344.02
    DEF 1402.89
    dimethyl isosorbide 997.32
    tetrachloroethylene 1832.4
    eugenol 566.01
    triacetin 661.72
    span 80 579.13
    1,4-butanediol 239.39
    1,1-dichloroethane 2561.15
    2-methyl-1-pentanol 1074.32
    methyl formate 450.96
    2-methyl-1-butanol 1222.88
    n-decane 65.51
    butyronitrile 1225.91
    3,7-dimethyl-1-octanol 489.44
    1-chlorooctane 325.38
    1-chlorotetradecane 118.99
    n-nonane 62.62
    undecane 46.78
    tert-butylcyclohexane 193.87
    cyclooctane 110.51
    cyclopentanol 892.97
    tetrahydropyran 2602.07
    tert-amyl methyl ether 1512.38
    2,5,8-trioxanonane 972.49
    1-hexene 885.56
    2-isopropoxyethanol 728.4
    2,2,2-trifluoroethanol 282.58
    methyl butyrate 1235.15

    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