Isopropyl 2-butenoate

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  • Identifiers

    CAS number
    18060-77-0

    Molecular formula
    C7H12O2

    SMILES
    CC=CC(=O)OC(C)C

  • Odor profile

    Fragrance
    Fruity 94.13%
    Sweet 63.17%
    Apple 63.04%
    Ethereal 54.39%
    Pineapple 53.14%
    Green 49.32%
    Rummy 47.68%
    Pungent 43.39%
    Sharp 42.09%
    Caramellic 41.62%

     

    Flavor
    Fruity 50.25%
    Sweet 34.69%
    Tropical 30.55%
    Pungent 26.62%
    Ethereal 23.49%
    Butter 22.62%
    Berry 22.07%
    Sharp 21.63%
    Caramel 21.23%
    Cheese 20.15%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.25 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    138°C

    Flash point

    • 36.9 ˚C est.

  • Synonyms

    • 18060-77-0
    • Isopropyl 2-butenoate
    • propan-2-yl but-2-enoate
    • 2-Butenoic acid, 1-methylethyl ester
    • isopropyl but-2-enoate
    • (EZ)-isopropyl crotonate
    • MFCD00059053
    • EINECS 241-970-7
    • isopropyl (E)-crotonate
    • AI3-24668
    • DTXSID00863738
    • AABBHSMFGKYLKE-UHFFFAOYSA-N
    • AKOS017265335
    • SY052333
    • DB-209004
    • NS00054435

  • Applications

    Isopropyl 2-butenoate (CAS 18060-77-0) is an alpha,beta-unsaturated crotonate ester used mainly as an odorant and fragrance fixative in perfumery. It also serves as a fragrance ingredient in cosmetics and personal care, and can act as a fragrance precursor for compounds used in food flavoring. In industrial settings, it is used as a practical intermediate in organic synthesis for aroma-related compounds. Additionally, it may function as a reactive monomer or intermediate in certain polymer or resin formulations and can be encountered in coatings or inks as a fragrance component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 502.51
    methanol 682.01
    isopropanol 442.55
    water 4.44
    ethyl acetate 340.33
    n-propanol 410.19
    acetone 542.03
    n-butanol 395.05
    acetonitrile 455.19
    DMF 773.37
    toluene 188.42
    isobutanol 317.64
    1,4-dioxane 626.45
    methyl acetate 328.95
    THF 941.34
    2-butanone 340.26
    n-pentanol 293.21
    sec-butanol 400.66
    n-hexane 187.89
    ethylene glycol 135.22
    NMP 858.92
    cyclohexane 273.17
    DMSO 570.88
    n-butyl acetate 289.29
    n-octanol 297.5
    chloroform 1182.94
    n-propyl acetate 218.62
    acetic acid 796.9
    dichloromethane 905.98
    cyclohexanone 639.45
    propylene glycol 227.28
    isopropyl acetate 208.51
    DMAc 597.25
    2-ethoxyethanol 249.4
    isopentanol 302.97
    n-heptane 120.77
    ethyl formate 269.86
    1,2-dichloroethane 428.12
    n-hexanol 402.8
    2-methoxyethanol 476.96
    isobutyl acetate 142.76
    tetrachloromethane 179.62
    n-pentyl acetate 205.59
    transcutol 712.4
    n-heptanol 170.16
    ethylbenzene 165.37
    MIBK 186.78
    2-propoxyethanol 411.84
    tert-butanol 510.93
    MTBE 292.57
    2-butoxyethanol 200.47
    propionic acid 418.12
    o-xylene 158.81
    formic acid 195.32
    diethyl ether 316.47
    m-xylene 150.48
    p-xylene 214.12
    chlorobenzene 340.8
    dimethyl carbonate 166.4
    n-octane 52.82
    formamide 187.8
    cyclopentanone 688.05
    2-pentanone 307.91
    anisole 258.27
    cyclopentyl methyl ether 415.82
    gamma-butyrolactone 784.64
    1-methoxy-2-propanol 396.43
    pyridine 474.07
    3-pentanone 239.4
    furfural 621.09
    n-dodecane 55.05
    diethylene glycol 298.89
    diisopropyl ether 116.14
    tert-amyl alcohol 420.81
    acetylacetone 352.08
    n-hexadecane 59.62
    acetophenone 258.87
    methyl propionate 291.14
    isopentyl acetate 253.69
    trichloroethylene 909.55
    n-nonanol 244.52
    cyclohexanol 460.22
    benzyl alcohol 223.12
    2-ethylhexanol 242.44
    isooctanol 135.67
    dipropyl ether 233.44
    1,2-dichlorobenzene 334.15
    ethyl lactate 162.37
    propylene carbonate 496.19
    n-methylformamide 335.81
    2-pentanol 287.94
    n-pentane 144.29
    1-propoxy-2-propanol 325.89
    1-methoxy-2-propyl acetate 259.11
    2-(2-methoxypropoxy) propanol 302.06
    mesitylene 118.7
    ε-caprolactone 522.03
    p-cymene 130.62
    epichlorohydrin 601.68
    1,1,1-trichloroethane 523.23
    2-aminoethanol 241.36
    morpholine-4-carbaldehyde 590.31
    sulfolane 904.44
    2,2,4-trimethylpentane 69.91
    2-methyltetrahydrofuran 606.21
    n-hexyl acetate 412.54
    isooctane 49.46
    2-(2-butoxyethoxy)ethanol 373.52
    sec-butyl acetate 143.53
    tert-butyl acetate 230.93
    decalin 109.23
    glycerin 258.02
    diglyme 465.06
    acrylic acid 393.58
    isopropyl myristate 179.47
    n-butyric acid 510.18
    acetyl acetate 264.9
    di(2-ethylhexyl) phthalate 178.87
    ethyl propionate 227.45
    nitromethane 746.13
    1,2-diethoxyethane 254.03
    benzonitrile 349.61
    trioctyl phosphate 138.23
    1-bromopropane 362.29
    gamma-valerolactone 689.78
    n-decanol 188.68
    triethyl phosphate 148.69
    4-methyl-2-pentanol 157.33
    propionitrile 335.95
    vinylene carbonate 481.66
    1,1,2-trichlorotrifluoroethane 491.8
    DMS 275.49
    cumene 129.07
    2-octanol 165.02
    2-hexanone 244.67
    octyl acetate 233.39
    limonene 205.78
    1,2-dimethoxyethane 469.8
    ethyl orthosilicate 137.79
    tributyl phosphate 169.74
    diacetone alcohol 282.91
    N,N-dimethylaniline 213.83
    acrylonitrile 398.93
    aniline 231.87
    1,3-propanediol 308.2
    bromobenzene 371.66
    dibromomethane 696.51
    1,1,2,2-tetrachloroethane 750.02
    2-methyl-cyclohexyl acetate 241.9
    tetrabutyl urea 223.46
    diisobutyl methanol 137.75
    2-phenylethanol 245.82
    styrene 194.76
    dioctyl adipate 265.55
    dimethyl sulfate 272.86
    ethyl butyrate 239.54
    methyl lactate 213.3
    butyl lactate 199.54
    diethyl carbonate 203.28
    propanediol butyl ether 297.4
    triethyl orthoformate 177.91
    p-tert-butyltoluene 133.56
    methyl 4-tert-butylbenzoate 283.95
    morpholine 624.64
    tert-butylamine 365.33
    n-dodecanol 155.0
    dimethoxymethane 392.64
    ethylene carbonate 365.61
    cyrene 279.25
    2-ethoxyethyl acetate 220.39
    2-ethylhexyl acetate 207.66
    1,2,4-trichlorobenzene 373.53
    4-methylpyridine 458.07
    dibutyl ether 272.8
    2,6-dimethyl-4-heptanol 137.75
    DEF 379.14
    dimethyl isosorbide 462.38
    tetrachloroethylene 467.3
    eugenol 259.15
    triacetin 364.04
    span 80 344.05
    1,4-butanediol 146.42
    1,1-dichloroethane 521.97
    2-methyl-1-pentanol 261.27
    methyl formate 306.62
    2-methyl-1-butanol 299.32
    n-decane 82.07
    butyronitrile 372.95
    3,7-dimethyl-1-octanol 247.74
    1-chlorooctane 207.75
    1-chlorotetradecane 105.17
    n-nonane 86.45
    undecane 64.61
    tert-butylcyclohexane 101.12
    cyclooctane 82.71
    cyclopentanol 510.01
    tetrahydropyran 644.21
    tert-amyl methyl ether 242.03
    2,5,8-trioxanonane 429.87
    1-hexene 309.81
    2-isopropoxyethanol 181.41
    2,2,2-trifluoroethanol 208.35
    methyl butyrate 290.86

    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