Benzoic acid, 2-methylene-3-butenyl ester

  • Identifiers

    Molecular formula
    C12H12O2

    SMILES
    C=CC(=C)COC(=O)C1=CC=CC=C1

  • Odor profile

    Herbal 50.44%
    Fruity 48.69%
    Sweet 45.76%
    Green 43.94%
    Spicy 43.38%
    Floral 39.92%
    Balsamic 37.89%
    Mint 32.34%
    Warm 31.24%
    Pungent 28.05%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    188.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point est.
    117.42 ˚C

  • Synonyms

    • LSTOFPNFEYBVLB-UHFFFAOYSA-N
    • 2-Methylene-3-butenyl benzoate #
    • Benzoic acid, 2-methylene-3-butenyl ester
  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 239.2
    methanol 265.77
    isopropanol 121.3
    water 0.12
    ethyl acetate 591.82
    n-propanol 200.31
    acetone 187.28
    n-butanol 196.08
    acetonitrile 379.01
    DMF 237.82
    toluene 287.29
    isobutanol 132.15
    1,4-dioxane 474.76
    methyl acetate 482.64
    THF 374.39
    2-butanone 442.94
    n-pentanol 154.93
    sec-butanol 228.28
    n-hexane 16.53
    ethylene glycol 19.73
    NMP 134.65
    cyclohexane 25.45
    DMSO 133.76
    n-butyl acetate 324.41
    n-octanol 87.44
    chloroform 648.81
    n-propyl acetate 304.06
    acetic acid 218.47
    dichloromethane 571.13
    cyclohexanone 308.76
    propylene glycol 41.33
    isopropyl acetate 271.05
    DMAc 445.88
    2-ethoxyethanol 235.74
    isopentanol 206.41
    n-heptane 11.27
    ethyl formate 175.57
    1,2-dichloroethane 514.49
    n-hexanol 174.32
    2-methoxyethanol 304.53
    isobutyl acetate 182.86
    tetrachloromethane 30.55
    n-pentyl acetate 142.8
    transcutol 1392.1
    n-heptanol 83.64
    ethylbenzene 191.3
    MIBK 214.56
    2-propoxyethanol 246.29
    tert-butanol 197.56
    MTBE 322.3
    2-butoxyethanol 162.33
    propionic acid 166.16
    o-xylene 144.55
    formic acid 56.2
    diethyl ether 451.17
    m-xylene 146.63
    p-xylene 182.79
    chlorobenzene 257.28
    dimethyl carbonate 122.21
    n-octane 7.7
    formamide 143.1
    cyclopentanone 245.95
    2-pentanone 313.63
    anisole 364.44
    cyclopentyl methyl ether 186.71
    gamma-butyrolactone 296.36
    1-methoxy-2-propanol 232.32
    pyridine 658.19
    3-pentanone 277.01
    furfural 340.47
    n-dodecane 8.03
    diethylene glycol 133.7
    diisopropyl ether 93.05
    tert-amyl alcohol 280.88
    acetylacetone 288.67
    n-hexadecane 9.21
    acetophenone 296.01
    methyl propionate 324.29
    isopentyl acetate 295.38
    trichloroethylene 932.77
    n-nonanol 84.78
    cyclohexanol 135.56
    benzyl alcohol 190.56
    2-ethylhexanol 122.08
    isooctanol 81.02
    dipropyl ether 131.52
    1,2-dichlorobenzene 219.6
    ethyl lactate 91.86
    propylene carbonate 212.85
    n-methylformamide 150.34
    2-pentanol 161.76
    n-pentane 13.22
    1-propoxy-2-propanol 182.06
    1-methoxy-2-propyl acetate 256.29
    2-(2-methoxypropoxy) propanol 227.63
    mesitylene 80.82
    ε-caprolactone 317.63
    p-cymene 72.31
    epichlorohydrin 558.01
    1,1,1-trichloroethane 323.8
    2-aminoethanol 68.66
    morpholine-4-carbaldehyde 265.4
    sulfolane 192.85
    2,2,4-trimethylpentane 15.49
    2-methyltetrahydrofuran 311.9
    n-hexyl acetate 216.41
    isooctane 12.2
    2-(2-butoxyethoxy)ethanol 328.93
    sec-butyl acetate 244.56
    tert-butyl acetate 262.76
    decalin 27.15
    glycerin 53.46
    diglyme 634.15
    acrylic acid 126.96
    isopropyl myristate 86.43
    n-butyric acid 256.71
    acetyl acetate 269.45
    di(2-ethylhexyl) phthalate 71.26
    ethyl propionate 281.18
    nitromethane 440.26
    1,2-diethoxyethane 404.55
    benzonitrile 265.44
    trioctyl phosphate 45.87
    1-bromopropane 285.16
    gamma-valerolactone 350.32
    n-decanol 62.18
    triethyl phosphate 88.05
    4-methyl-2-pentanol 109.47
    propionitrile 337.73
    vinylene carbonate 222.6
    1,1,2-trichlorotrifluoroethane 241.8
    DMS 193.45
    cumene 106.15
    2-octanol 60.27
    2-hexanone 281.85
    octyl acetate 105.56
    limonene 95.37
    1,2-dimethoxyethane 478.12
    ethyl orthosilicate 86.41
    tributyl phosphate 70.53
    diacetone alcohol 250.67
    N,N-dimethylaniline 180.24
    acrylonitrile 402.68
    aniline 208.54
    1,3-propanediol 130.3
    bromobenzene 273.55
    dibromomethane 387.41
    1,1,2,2-tetrachloroethane 660.26
    2-methyl-cyclohexyl acetate 161.72
    tetrabutyl urea 91.43
    diisobutyl methanol 79.82
    2-phenylethanol 191.98
    styrene 251.45
    dioctyl adipate 128.19
    dimethyl sulfate 120.88
    ethyl butyrate 241.21
    methyl lactate 93.96
    butyl lactate 105.9
    diethyl carbonate 172.34
    propanediol butyl ether 137.17
    triethyl orthoformate 139.97
    p-tert-butyltoluene 65.17
    methyl 4-tert-butylbenzoate 171.06
    morpholine 508.54
    tert-butylamine 125.63
    n-dodecanol 47.18
    dimethoxymethane 278.66
    ethylene carbonate 163.77
    cyrene 122.24
    2-ethoxyethyl acetate 242.01
    2-ethylhexyl acetate 229.09
    1,2,4-trichlorobenzene 234.94
    4-methylpyridine 519.79
    dibutyl ether 166.83
    2,6-dimethyl-4-heptanol 79.82
    DEF 348.6
    dimethyl isosorbide 309.66
    tetrachloroethylene 341.39
    eugenol 183.66
    triacetin 198.49
    span 80 144.65
    1,4-butanediol 42.71
    1,1-dichloroethane 398.18
    2-methyl-1-pentanol 200.75
    methyl formate 109.81
    2-methyl-1-butanol 197.44
    n-decane 12.73
    butyronitrile 300.01
    3,7-dimethyl-1-octanol 118.95
    1-chlorooctane 72.54
    1-chlorotetradecane 28.41
    n-nonane 11.01
    undecane 9.78
    tert-butylcyclohexane 25.31
    cyclooctane 9.22
    cyclopentanol 79.62
    tetrahydropyran 423.54
    tert-amyl methyl ether 261.73
    2,5,8-trioxanonane 420.65
    1-hexene 124.67
    2-isopropoxyethanol 172.54
    2,2,2-trifluoroethanol 54.15
    methyl butyrate 351.68

    Scent© AI

1 of 4
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
Name CAS Botanical Proportion
Cinnamomum "Re G—ng" (Vietnam) 1a leaf Cinnamomum species "Re G—ng", fam. Lauraceae 85.9%
Cinnamomum "Re G—ng" (Vietnam) 1b stem Cinnamomum species "Re G—ng", fam. Lauraceae 92.4%
Cinnamomum "Re G—ng" (Vietnam) 1c wood Cinnamomum species "Re G—ng", fam. Lauraceae 44.2%
Cinnamomum "Re G—ng" (Vietnam) 1d root Cinnamomum species "Re G—ng", fam. Lauraceae 7.8%