2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2Z)-

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  • Identifiers

    CAS number
    84060-80-0

    Molecular formula
    C11H18O2

    SMILES
    CC/C=C\CCOC(=O)/C(=C\C)/C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 94.12%
    Fruity 82.93%
    Herbal 57.19%
    Fresh 55.34%
    Floral 55.01%
    Tropical 54.01%
    Apple 52.65%
    Vegetable 51.35%
    Leafy 48.84%
    Sweet 47.91%

     

    Flavor
    Green 69.39%
    Fruity 65.55%
    Apple 38.38%
    Spicy 37.77%
    Floral 35.9%
    Tropical 35.88%
    Herbal 35.21%
    Sweet 34.5%
    Fresh 32.55%
    Pear 31.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.32 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    226°C

    Flash point

    • 91.93 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in fats
    • soluble (in ethanol)

  • Synonyms

    • (Z)-3-Hexenyl Angelate
    • 84060-80-0
    • cis-3-Hexenyl angelate
    • (Z,Z)-3-Hexenyl 2-methyl-2-butenoate
    • 2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2Z)-
    • [(Z)-hex-3-enyl] (Z)-2-methylbut-2-enoate
    • (Z)-(Z)-Hex-3-en-1-yl 2-methylbut-2-enoate
    • 2-Butenoic acid, 2-methyl-, 3-hexenyl ester, (Z,Z)-
    • (z)-3-hexen-1-yl angelate
    • EINECS 281-904-4
    • SCHEMBL872853
    • DTXSID501264008
    • 2-Butenoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester, (2Z)-
    • 67883-79-8
    • AKOS015840264
    • DB-248229
    • (3Z)-3-Hexen-1-yl (2Z)-2-methyl-2-butenoate
    • Q67866067

  • Applications

    2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2Z)- (CAS 84060-80-0) is primarily used in perfumery as a fragrance ingredient with fresh, green notes and can act as a scent fixative to help prolong aroma in formulations. In cosmetics/personal care, it is commonly evaluated as a fragrance component for products such as lotions, shampoos, and body washes, contributing a natural or leafy character. In household products, it may be employed as a fragrance additive in cleaners, air fresheners, and laundry products to impart a clean, green note. In industrial manufacturing, it serves as an aroma chemical intermediate for the synthesis of other fragrance ingredients and related compounds. In coatings/inks, it can be used as a fragrance additive to impart or enhance a specific scent profile in decorative finishes and printed products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2757.12
    methanol 2841.98
    isopropanol 2342.67
    water 0.41
    ethyl acetate 4784.08
    n-propanol 2411.87
    acetone 5817.01
    n-butanol 2609.88
    acetonitrile 4800.81
    DMF 4548.33
    toluene 2308.98
    isobutanol 2237.23
    1,4-dioxane 4126.87
    methyl acetate 3605.94
    THF 4584.51
    2-butanone 4833.49
    n-pentanol 1872.17
    sec-butanol 2788.78
    n-hexane 969.13
    ethylene glycol 172.22
    NMP 3684.02
    cyclohexane 1302.59
    DMSO 3462.85
    n-butyl acetate 3544.61
    n-octanol 1057.18
    chloroform 8943.28
    n-propyl acetate 3040.64
    acetic acid 2778.6
    dichloromethane 8876.97
    cyclohexanone 5651.97
    propylene glycol 344.92
    isopropyl acetate 2678.13
    DMAc 3239.56
    2-ethoxyethanol 1819.03
    isopentanol 2641.0
    n-heptane 314.95
    ethyl formate 1941.24
    1,2-dichloroethane 6193.79
    n-hexanol 2012.23
    2-methoxyethanol 2323.35
    isobutyl acetate 1608.0
    tetrachloromethane 1489.52
    n-pentyl acetate 1957.51
    transcutol 6516.02
    n-heptanol 909.89
    ethylbenzene 1390.9
    MIBK 2037.19
    2-propoxyethanol 2170.88
    tert-butanol 3668.72
    MTBE 4941.33
    2-butoxyethanol 1293.32
    propionic acid 2018.43
    o-xylene 1304.23
    formic acid 464.28
    diethyl ether 5198.91
    m-xylene 1427.4
    p-xylene 1751.6
    chlorobenzene 3035.6
    dimethyl carbonate 880.14
    n-octane 170.56
    formamide 942.47
    cyclopentanone 4964.33
    2-pentanone 4034.23
    anisole 2260.5
    cyclopentyl methyl ether 3253.5
    gamma-butyrolactone 4835.22
    1-methoxy-2-propanol 1973.16
    pyridine 4886.11
    3-pentanone 3077.07
    furfural 3120.48
    n-dodecane 117.14
    diethylene glycol 934.51
    diisopropyl ether 1372.49
    tert-amyl alcohol 3633.11
    acetylacetone 3109.33
    n-hexadecane 139.35
    acetophenone 1955.95
    methyl propionate 2800.92
    isopentyl acetate 2789.46
    trichloroethylene 10455.72
    n-nonanol 886.51
    cyclohexanol 2752.57
    benzyl alcohol 1410.02
    2-ethylhexanol 1320.3
    isooctanol 823.57
    dipropyl ether 1605.41
    1,2-dichlorobenzene 2551.57
    ethyl lactate 705.84
    propylene carbonate 2424.44
    n-methylformamide 2101.92
    2-pentanol 2388.32
    n-pentane 681.59
    1-propoxy-2-propanol 1653.25
    1-methoxy-2-propyl acetate 1931.75
    2-(2-methoxypropoxy) propanol 1187.3
    mesitylene 894.24
    ε-caprolactone 4242.77
    p-cymene 620.54
    epichlorohydrin 5569.08
    1,1,1-trichloroethane 6039.48
    2-aminoethanol 604.99
    morpholine-4-carbaldehyde 2812.93
    sulfolane 4289.19
    2,2,4-trimethylpentane 337.1
    2-methyltetrahydrofuran 4851.48
    n-hexyl acetate 2557.76
    isooctane 273.69
    2-(2-butoxyethoxy)ethanol 1698.21
    sec-butyl acetate 1965.46
    tert-butyl acetate 2546.2
    decalin 511.6
    glycerin 407.11
    diglyme 3022.15
    acrylic acid 1519.38
    isopropyl myristate 823.17
    n-butyric acid 3244.7
    acetyl acetate 2175.27
    di(2-ethylhexyl) phthalate 602.88
    ethyl propionate 2434.54
    nitromethane 4730.34
    1,2-diethoxyethane 3237.78
    benzonitrile 2514.82
    trioctyl phosphate 460.16
    1-bromopropane 4599.33
    gamma-valerolactone 4448.24
    n-decanol 605.09
    triethyl phosphate 656.37
    4-methyl-2-pentanol 1164.4
    propionitrile 3487.78
    vinylene carbonate 2243.98
    1,1,2-trichlorotrifluoroethane 2636.23
    DMS 1525.47
    cumene 832.28
    2-octanol 824.28
    2-hexanone 2810.6
    octyl acetate 1055.39
    limonene 989.94
    1,2-dimethoxyethane 3579.85
    ethyl orthosilicate 673.72
    tributyl phosphate 674.59
    diacetone alcohol 1890.61
    N,N-dimethylaniline 1341.36
    acrylonitrile 3649.79
    aniline 2136.41
    1,3-propanediol 1153.0
    bromobenzene 3598.95
    dibromomethane 6560.35
    1,1,2,2-tetrachloroethane 7878.64
    2-methyl-cyclohexyl acetate 1239.87
    tetrabutyl urea 823.37
    diisobutyl methanol 686.88
    2-phenylethanol 1323.33
    styrene 1909.27
    dioctyl adipate 973.89
    dimethyl sulfate 1185.38
    ethyl butyrate 2035.25
    methyl lactate 715.92
    butyl lactate 1076.38
    diethyl carbonate 1233.2
    propanediol butyl ether 1121.17
    triethyl orthoformate 1078.54
    p-tert-butyltoluene 584.16
    methyl 4-tert-butylbenzoate 1204.0
    morpholine 4989.04
    tert-butylamine 2764.06
    n-dodecanol 438.41
    dimethoxymethane 2370.27
    ethylene carbonate 1908.76
    cyrene 981.1
    2-ethoxyethyl acetate 2081.66
    2-ethylhexyl acetate 2207.72
    1,2,4-trichlorobenzene 2566.65
    4-methylpyridine 5297.59
    dibutyl ether 1901.51
    2,6-dimethyl-4-heptanol 686.88
    DEF 4033.37
    dimethyl isosorbide 1883.07
    tetrachloroethylene 4741.4
    eugenol 1204.56
    triacetin 1550.13
    span 80 1136.31
    1,4-butanediol 507.9
    1,1-dichloroethane 7116.77
    2-methyl-1-pentanol 2087.38
    methyl formate 1417.37
    2-methyl-1-butanol 2686.21
    n-decane 217.72
    butyronitrile 4173.09
    3,7-dimethyl-1-octanol 1087.75
    1-chlorooctane 967.37
    1-chlorotetradecane 333.39
    n-nonane 226.69
    undecane 152.29
    tert-butylcyclohexane 463.96
    cyclooctane 341.14
    cyclopentanol 2074.72
    tetrahydropyran 5835.43
    tert-amyl methyl ether 3159.89
    2,5,8-trioxanonane 1823.13
    1-hexene 2635.06
    2-isopropoxyethanol 1485.03
    2,2,2-trifluoroethanol 635.89
    methyl butyrate 3530.52

    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