2-Butenoic acid, 1-ethyl-2-methylpropyl ester, (2E)-

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  • Identifiers

    CAS number
    1370711-06-0

    Molecular formula
    C10H18O2

    SMILES
    CCC(C(C)C)OC(=O)/C=C/C

  • Odor profile

    Fragrance
    Fruity 89.32%
    Sweet 61.05%
    Apple 48.38%
    Woody 47.41%
    Herbal 45.52%
    Floral 38.97%
    Fresh 38.48%
    Chamomile 38.05%
    Berry 37.56%
    Green 33.14%

     

    Flavor
    Fruity 45.12%
    Sweet 32.46%
    Green 30.7%
    Tropical 28.56%
    Berry 26.9%
    Herbal 24.28%
    Spicy 21.94%
    Pungent 20.54%
    Filbert 20.18%
    Cheese 19.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.46 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point

    • 68.19 ˚C est.

  • Synonyms

    • VIA9EBA02X
    • UNII-VIA9EBA02X
    • 1-Ethyl-2-methylpropyl 2-butenoate, (2E)-
    • 1370711-06-0
    • 2-BUTENOIC ACID, 1-ETHYL-2-METHYLPROPYL ESTER, (2E)-
    • FEMA NO. 4818
    • DTXSID60889297
    • EC 806-544-2
    • 2-METHYLPENTAN-3-YL (2E)-BUT-2-ENOATE
    • TRANS-1-ETHYL-2-METHYLPROPYL 2-BUTENOATE
    • 1-ETHYL-2-METHYLPROPYL (2E)-2-BUTENOIC ACID ESTER
    • SCHEMBL15855945
    • SCHEMBL15855946
    • PVADUHPHJRAAIS-FNORWQNLSA-N
    • DTXCID001028560

  • Applications

    Chemical: 2-Butenoic acid, 1-ethyl-2-methylpropyl ester, (2E)-; CAS 1370711-06-0 is an unsaturated crotonate ester that is used primarily as a fragrance ingredient or fragrance intermediate in perfumery. It may function as a fragrance fixative in cosmetics and personal care products, and can serve as a processing aid or solvent in industrial coatings, inks, and adhesives. In polymer chemistry, it can act as a monomer or a plasticizer component for vinyl or acrylate systems, and it is commonly evaluated as an intermediate in organic synthesis for specialty fragrance or chemical products. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2549.53
    methanol 2667.52
    isopropanol 2502.57
    water 1.13
    ethyl acetate 1213.76
    n-propanol 2143.77
    acetone 1718.28
    n-butanol 2270.32
    acetonitrile 1424.66
    DMF 1653.36
    toluene 976.54
    isobutanol 2007.22
    1,4-dioxane 2421.18
    methyl acetate 1040.84
    THF 2733.9
    2-butanone 1472.33
    n-pentanol 1860.57
    sec-butanol 2666.8
    n-hexane 1049.53
    ethylene glycol 228.18
    NMP 1531.61
    cyclohexane 1122.17
    DMSO 1083.37
    n-butyl acetate 1944.23
    n-octanol 963.74
    chloroform 4842.31
    n-propyl acetate 911.29
    acetic acid 1597.2
    dichloromethane 3309.47
    cyclohexanone 2484.71
    propylene glycol 432.28
    isopropyl acetate 905.81
    DMAc 1361.67
    2-ethoxyethanol 1158.64
    isopentanol 2220.39
    n-heptane 373.39
    ethyl formate 944.93
    1,2-dichloroethane 2010.22
    n-hexanol 2545.18
    2-methoxyethanol 1617.16
    isobutyl acetate 704.46
    tetrachloromethane 948.31
    n-pentyl acetate 966.2
    transcutol 2343.03
    n-heptanol 899.89
    ethylbenzene 708.23
    MIBK 913.85
    2-propoxyethanol 1794.47
    tert-butanol 2772.24
    MTBE 2525.22
    2-butoxyethanol 990.31
    propionic acid 1035.0
    o-xylene 645.07
    formic acid 365.63
    diethyl ether 2067.98
    m-xylene 667.87
    p-xylene 938.26
    chlorobenzene 1358.94
    dimethyl carbonate 269.26
    n-octane 170.37
    formamide 381.97
    cyclopentanone 1852.58
    2-pentanone 1324.45
    anisole 894.74
    cyclopentyl methyl ether 1535.85
    gamma-butyrolactone 1716.78
    1-methoxy-2-propanol 1160.42
    pyridine 2007.15
    3-pentanone 875.93
    furfural 1462.8
    n-dodecane 120.04
    diethylene glycol 841.42
    diisopropyl ether 658.43
    tert-amyl alcohol 2702.79
    acetylacetone 897.46
    n-hexadecane 136.98
    acetophenone 748.61
    methyl propionate 751.01
    isopentyl acetate 1715.76
    trichloroethylene 3511.72
    n-nonanol 764.13
    cyclohexanol 2311.06
    benzyl alcohol 820.1
    2-ethylhexanol 1331.98
    isooctanol 724.09
    dipropyl ether 973.95
    1,2-dichlorobenzene 1046.7
    ethyl lactate 350.26
    propylene carbonate 1114.52
    n-methylformamide 797.73
    2-pentanol 1869.69
    n-pentane 678.88
    1-propoxy-2-propanol 1337.25
    1-methoxy-2-propyl acetate 916.8
    2-(2-methoxypropoxy) propanol 711.66
    mesitylene 466.53
    ε-caprolactone 1886.65
    p-cymene 443.89
    epichlorohydrin 2100.82
    1,1,1-trichloroethane 2334.46
    2-aminoethanol 622.74
    morpholine-4-carbaldehyde 1398.77
    sulfolane 1629.38
    2,2,4-trimethylpentane 322.49
    2-methyltetrahydrofuran 2737.31
    n-hexyl acetate 1411.35
    isooctane 240.08
    2-(2-butoxyethoxy)ethanol 956.9
    sec-butyl acetate 729.5
    tert-butyl acetate 939.53
    decalin 395.07
    glycerin 425.43
    diglyme 1513.55
    acrylic acid 778.44
    isopropyl myristate 453.84
    n-butyric acid 1884.92
    acetyl acetate 653.15
    di(2-ethylhexyl) phthalate 407.73
    ethyl propionate 674.52
    nitromethane 1330.06
    1,2-diethoxyethane 1290.04
    benzonitrile 1248.27
    trioctyl phosphate 318.75
    1-bromopropane 2000.24
    gamma-valerolactone 1998.24
    n-decanol 529.45
    triethyl phosphate 358.14
    4-methyl-2-pentanol 941.09
    propionitrile 1488.72
    vinylene carbonate 1034.59
    1,1,2-trichlorotrifluoroethane 1312.33
    DMS 579.49
    cumene 468.88
    2-octanol 762.87
    2-hexanone 1282.08
    octyl acetate 596.95
    limonene 746.34
    1,2-dimethoxyethane 2168.78
    ethyl orthosilicate 391.85
    tributyl phosphate 389.62
    diacetone alcohol 893.05
    N,N-dimethylaniline 639.76
    acrylonitrile 1207.28
    aniline 1004.68
    1,3-propanediol 1037.19
    bromobenzene 1532.23
    dibromomethane 2698.4
    1,1,2,2-tetrachloroethane 3199.4
    2-methyl-cyclohexyl acetate 740.38
    tetrabutyl urea 454.12
    diisobutyl methanol 598.88
    2-phenylethanol 1018.57
    styrene 828.73
    dioctyl adipate 548.14
    dimethyl sulfate 362.74
    ethyl butyrate 861.03
    methyl lactate 340.89
    butyl lactate 590.65
    diethyl carbonate 540.8
    propanediol butyl ether 829.89
    triethyl orthoformate 595.76
    p-tert-butyltoluene 428.09
    methyl 4-tert-butylbenzoate 630.44
    morpholine 2898.54
    tert-butylamine 2193.79
    n-dodecanol 390.4
    dimethoxymethane 904.59
    ethylene carbonate 928.66
    cyrene 553.3
    2-ethoxyethyl acetate 853.42
    2-ethylhexyl acetate 1331.59
    1,2,4-trichlorobenzene 1125.79
    4-methylpyridine 2282.29
    dibutyl ether 1041.23
    2,6-dimethyl-4-heptanol 598.88
    DEF 1393.93
    dimethyl isosorbide 995.91
    tetrachloroethylene 2133.13
    eugenol 644.96
    triacetin 674.19
    span 80 758.62
    1,4-butanediol 542.67
    1,1-dichloroethane 2649.98
    2-methyl-1-pentanol 1805.93
    methyl formate 595.69
    2-methyl-1-butanol 2168.15
    n-decane 218.68
    butyronitrile 2184.99
    3,7-dimethyl-1-octanol 875.29
    1-chlorooctane 709.31
    1-chlorotetradecane 253.09
    n-nonane 239.67
    undecane 155.32
    tert-butylcyclohexane 387.28
    cyclooctane 308.83
    cyclopentanol 1805.91
    tetrahydropyran 3345.71
    tert-amyl methyl ether 1719.72
    2,5,8-trioxanonane 929.07
    1-hexene 2110.54
    2-isopropoxyethanol 902.82
    2,2,2-trifluoroethanol 356.76
    methyl butyrate 1125.67

    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