Pent-2-en-2-yl formate

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  • Identifiers

    Molecular formula
    C6H10O2

    SMILES
    CCC=C(C)OC=O

  • Odor profile

    Fruity 96.16%
    Green 86.14%
    Ethereal 64.42%
    Apple 55.57%
    Rummy 44.14%
    Fresh 44.11%
    Sharp 43.06%
    Winey 42.46%
    Banana 41.06%
    Tropical 37.65%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    131°C

    Flash point est.
    35.19 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 499.69
    methanol 560.21
    isopropanol 355.27
    water 1.54
    ethyl acetate 535.07
    n-propanol 351.6
    acetone 880.78
    n-butanol 317.65
    acetonitrile 660.6
    DMF 1071.2
    toluene 176.04
    isobutanol 240.09
    1,4-dioxane 926.84
    methyl acetate 534.21
    THF 1401.67
    2-butanone 572.11
    n-pentanol 204.11
    sec-butanol 300.3
    n-hexane 48.29
    ethylene glycol 136.71
    NMP 1558.0
    cyclohexane 85.42
    DMSO 1304.1
    n-butyl acetate 297.87
    n-octanol 125.58
    chloroform 991.26
    n-propyl acetate 238.41
    acetic acid 834.56
    dichloromethane 1173.98
    cyclohexanone 952.65
    propylene glycol 149.26
    isopropyl acetate 261.13
    DMAc 645.84
    2-ethoxyethanol 294.18
    isopentanol 229.34
    n-heptane 29.45
    ethyl formate 281.35
    1,2-dichloroethane 719.61
    n-hexanol 243.83
    2-methoxyethanol 563.5
    isobutyl acetate 131.59
    tetrachloromethane 142.43
    n-pentyl acetate 186.47
    transcutol 1159.05
    n-heptanol 93.96
    ethylbenzene 97.69
    MIBK 227.9
    2-propoxyethanol 410.95
    tert-butanol 440.04
    MTBE 310.39
    2-butoxyethanol 188.09
    propionic acid 509.17
    o-xylene 121.29
    formic acid 229.43
    diethyl ether 406.71
    m-xylene 138.67
    p-xylene 120.94
    chlorobenzene 341.43
    dimethyl carbonate 171.22
    n-octane 12.98
    formamide 317.68
    cyclopentanone 1273.36
    2-pentanone 469.49
    anisole 236.05
    cyclopentyl methyl ether 570.01
    gamma-butyrolactone 1548.67
    1-methoxy-2-propanol 440.63
    pyridine 642.82
    3-pentanone 344.13
    furfural 819.37
    n-dodecane 13.54
    diethylene glycol 327.93
    diisopropyl ether 101.03
    tert-amyl alcohol 328.83
    acetylacetone 553.66
    n-hexadecane 15.63
    acetophenone 215.8
    methyl propionate 425.07
    isopentyl acetate 242.13
    trichloroethylene 1268.4
    n-nonanol 104.54
    cyclohexanol 397.19
    benzyl alcohol 178.76
    2-ethylhexanol 140.88
    isooctanol 76.47
    dipropyl ether 151.26
    1,2-dichlorobenzene 303.68
    ethyl lactate 126.58
    propylene carbonate 591.98
    n-methylformamide 499.84
    2-pentanol 222.97
    n-pentane 44.87
    1-propoxy-2-propanol 280.02
    1-methoxy-2-propyl acetate 298.19
    2-(2-methoxypropoxy) propanol 263.32
    mesitylene 88.78
    ε-caprolactone 744.16
    p-cymene 76.36
    epichlorohydrin 1139.62
    1,1,1-trichloroethane 623.92
    2-aminoethanol 214.51
    morpholine-4-carbaldehyde 897.91
    sulfolane 1738.8
    2,2,4-trimethylpentane 26.09
    2-methyltetrahydrofuran 1033.9
    n-hexyl acetate 318.16
    isooctane 19.55
    2-(2-butoxyethoxy)ethanol 351.72
    sec-butyl acetate 155.19
    tert-butyl acetate 308.08
    decalin 41.38
    glycerin 209.57
    diglyme 535.03
    acrylic acid 470.13
    isopropyl myristate 116.91
    n-butyric acid 510.24
    acetyl acetate 340.69
    di(2-ethylhexyl) phthalate 122.24
    ethyl propionate 245.9
    nitromethane 1260.27
    1,2-diethoxyethane 323.7
    benzonitrile 300.91
    trioctyl phosphate 86.86
    1-bromopropane 396.6
    gamma-valerolactone 1196.2
    n-decanol 78.78
    triethyl phosphate 109.55
    4-methyl-2-pentanol 108.13
    propionitrile 414.72
    vinylene carbonate 467.6
    1,1,2-trichlorotrifluoroethane 562.94
    DMS 274.11
    cumene 69.83
    2-octanol 77.06
    2-hexanone 254.55
    octyl acetate 152.79
    limonene 129.44
    1,2-dimethoxyethane 481.83
    ethyl orthosilicate 98.41
    tributyl phosphate 117.04
    diacetone alcohol 353.83
    N,N-dimethylaniline 147.37
    acrylonitrile 529.76
    aniline 257.87
    1,3-propanediol 286.73
    bromobenzene 374.03
    dibromomethane 729.36
    1,1,2,2-tetrachloroethane 867.96
    2-methyl-cyclohexyl acetate 177.6
    tetrabutyl urea 143.55
    diisobutyl methanol 84.25
    2-phenylethanol 200.17
    styrene 128.73
    dioctyl adipate 181.02
    dimethyl sulfate 341.66
    ethyl butyrate 196.77
    methyl lactate 202.95
    butyl lactate 150.34
    diethyl carbonate 145.4
    propanediol butyl ether 218.16
    triethyl orthoformate 129.28
    p-tert-butyltoluene 75.13
    methyl 4-tert-butylbenzoate 209.07
    morpholine 1037.06
    tert-butylamine 244.94
    n-dodecanol 61.77
    dimethoxymethane 448.77
    ethylene carbonate 379.69
    cyrene 246.36
    2-ethoxyethyl acetate 277.65
    2-ethylhexyl acetate 187.55
    1,2,4-trichlorobenzene 365.41
    4-methylpyridine 577.94
    dibutyl ether 163.25
    2,6-dimethyl-4-heptanol 84.25
    DEF 523.93
    dimethyl isosorbide 474.04
    tetrachloroethylene 534.33
    eugenol 212.17
    triacetin 285.23
    span 80 252.8
    1,4-butanediol 112.11
    1,1-dichloroethane 726.36
    2-methyl-1-pentanol 174.94
    methyl formate 386.89
    2-methyl-1-butanol 227.53
    n-decane 20.66
    butyronitrile 404.34
    3,7-dimethyl-1-octanol 130.95
    1-chlorooctane 98.2
    1-chlorotetradecane 41.03
    n-nonane 20.63
    undecane 16.32
    tert-butylcyclohexane 37.07
    cyclooctane 23.86
    cyclopentanol 535.12
    tetrahydropyran 878.83
    tert-amyl methyl ether 243.35
    2,5,8-trioxanonane 409.39
    1-hexene 152.57
    2-isopropoxyethanol 199.54
    2,2,2-trifluoroethanol 239.95
    methyl butyrate 315.79

    Scent© AI

1 3

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