(E)-4-Phenylbut-3-en-2-yl acetate

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  • Identifiers

    CAS number
    74457-38-8

    Molecular formula
    C12H14O2

    SMILES
    CC(/C=C/C1=CC=CC=C1)OC(=O)C

  • Odor profile

    Sweet 80.39%
    Fruity 76.41%
    Floral 76.2%
    Balsamic 68.3%
    Spicy 59.4%
    Green 50.94%
    Cinnamon 43.3%
    Honey 38.79%
    Tropical 38.75%
    Powdery 36.74%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point est.
    131.92 ˚C

  • Synonyms

    • (E)-4-Phenylbut-3-en-2-yl acetate
    • SCHEMBL7022280
    • DSWDNUYFUXOVBI-CMDGGOBGSA-N
    • [(E)-4-phenylbut-3-en-2-yl] acetate
    • (2E)-1-methyl-3-phenyl-2-propenyl acetate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 252.33
    methanol 292.69
    isopropanol 152.35
    water 1.18
    ethyl acetate 157.4
    n-propanol 177.28
    acetone 395.16
    n-butanol 153.53
    acetonitrile 208.93
    DMF 776.38
    toluene 69.11
    isobutanol 114.33
    1,4-dioxane 435.45
    methyl acetate 200.51
    THF 449.28
    2-butanone 220.62
    n-pentanol 129.72
    sec-butanol 128.92
    n-hexane 20.98
    ethylene glycol 118.59
    NMP 508.91
    cyclohexane 13.25
    DMSO 937.0
    n-butyl acetate 114.89
    n-octanol 51.66
    chloroform 610.15
    n-propyl acetate 90.29
    acetic acid 278.79
    dichloromethane 510.91
    cyclohexanone 250.46
    propylene glycol 160.98
    isopropyl acetate 95.95
    DMAc 831.38
    2-ethoxyethanol 244.76
    isopentanol 137.7
    n-heptane 7.19
    ethyl formate 86.4
    1,2-dichloroethane 319.04
    n-hexanol 108.26
    2-methoxyethanol 396.8
    isobutyl acetate 74.34
    tetrachloromethane 40.0
    n-pentyl acetate 60.23
    transcutol 1040.35
    n-heptanol 39.94
    ethylbenzene 47.54
    MIBK 108.55
    2-propoxyethanol 240.02
    tert-butanol 213.31
    MTBE 174.11
    2-butoxyethanol 103.75
    propionic acid 180.29
    o-xylene 51.18
    formic acid 124.06
    diethyl ether 188.38
    m-xylene 53.29
    p-xylene 56.59
    chlorobenzene 124.11
    dimethyl carbonate 110.06
    n-octane 3.41
    formamide 181.37
    cyclopentanone 330.64
    2-pentanone 156.23
    anisole 163.74
    cyclopentyl methyl ether 185.61
    gamma-butyrolactone 360.87
    1-methoxy-2-propanol 280.22
    pyridine 235.97
    3-pentanone 141.81
    furfural 308.3
    n-dodecane 4.24
    diethylene glycol 233.49
    diisopropyl ether 46.37
    tert-amyl alcohol 163.43
    acetylacetone 235.82
    n-hexadecane 4.86
    acetophenone 130.83
    methyl propionate 169.72
    isopentyl acetate 113.83
    trichloroethylene 537.89
    n-nonanol 47.93
    cyclohexanol 112.23
    benzyl alcohol 118.72
    2-ethylhexanol 67.13
    isooctanol 35.48
    dipropyl ether 76.3
    1,2-dichlorobenzene 132.44
    ethyl lactate 76.52
    propylene carbonate 175.23
    n-methylformamide 222.85
    2-pentanol 88.47
    n-pentane 9.67
    1-propoxy-2-propanol 151.59
    1-methoxy-2-propyl acetate 159.98
    2-(2-methoxypropoxy) propanol 177.57
    mesitylene 35.94
    ε-caprolactone 202.59
    p-cymene 31.98
    epichlorohydrin 428.34
    1,1,1-trichloroethane 209.56
    2-aminoethanol 183.61
    morpholine-4-carbaldehyde 455.23
    sulfolane 522.56
    2,2,4-trimethylpentane 9.71
    2-methyltetrahydrofuran 278.82
    n-hexyl acetate 114.37
    isooctane 6.81
    2-(2-butoxyethoxy)ethanol 225.95
    sec-butyl acetate 73.83
    tert-butyl acetate 133.74
    decalin 16.61
    glycerin 220.01
    diglyme 391.85
    acrylic acid 174.52
    isopropyl myristate 47.39
    n-butyric acid 172.03
    acetyl acetate 119.47
    di(2-ethylhexyl) phthalate 60.59
    ethyl propionate 93.4
    nitromethane 456.0
    1,2-diethoxyethane 203.77
    benzonitrile 119.43
    trioctyl phosphate 35.87
    1-bromopropane 158.72
    gamma-valerolactone 402.38
    n-decanol 36.65
    triethyl phosphate 64.46
    4-methyl-2-pentanol 57.16
    propionitrile 131.22
    vinylene carbonate 164.19
    1,1,2-trichlorotrifluoroethane 341.98
    DMS 147.03
    cumene 40.51
    2-octanol 27.5
    2-hexanone 115.94
    octyl acetate 60.78
    limonene 47.55
    1,2-dimethoxyethane 365.79
    ethyl orthosilicate 62.98
    tributyl phosphate 56.09
    diacetone alcohol 174.18
    N,N-dimethylaniline 113.18
    acrylonitrile 169.33
    aniline 124.51
    1,3-propanediol 182.37
    bromobenzene 128.48
    dibromomethane 303.94
    1,1,2,2-tetrachloroethane 487.97
    2-methyl-cyclohexyl acetate 92.65
    tetrabutyl urea 76.25
    diisobutyl methanol 40.59
    2-phenylethanol 101.54
    styrene 65.09
    dioctyl adipate 84.39
    dimethyl sulfate 229.36
    ethyl butyrate 85.9
    methyl lactate 122.92
    butyl lactate 70.37
    diethyl carbonate 75.36
    propanediol butyl ether 140.14
    triethyl orthoformate 75.36
    p-tert-butyltoluene 32.62
    methyl 4-tert-butylbenzoate 116.6
    morpholine 448.59
    tert-butylamine 120.32
    n-dodecanol 28.78
    dimethoxymethane 323.69
    ethylene carbonate 132.48
    cyrene 157.02
    2-ethoxyethyl acetate 123.13
    2-ethylhexyl acetate 89.88
    1,2,4-trichlorobenzene 169.87
    4-methylpyridine 207.74
    dibutyl ether 77.46
    2,6-dimethyl-4-heptanol 40.59
    DEF 229.43
    dimethyl isosorbide 249.22
    tetrachloroethylene 237.94
    eugenol 124.65
    triacetin 154.71
    span 80 127.0
    1,4-butanediol 92.05
    1,1-dichloroethane 255.7
    2-methyl-1-pentanol 119.99
    methyl formate 143.78
    2-methyl-1-butanol 127.63
    n-decane 6.47
    butyronitrile 129.91
    3,7-dimethyl-1-octanol 58.22
    1-chlorooctane 35.33
    1-chlorotetradecane 16.0
    n-nonane 5.97
    undecane 5.13
    tert-butylcyclohexane 17.11
    cyclooctane 4.71
    cyclopentanol 123.05
    tetrahydropyran 259.04
    tert-amyl methyl ether 133.48
    2,5,8-trioxanonane 303.05
    1-hexene 79.32
    2-isopropoxyethanol 152.88
    2,2,2-trifluoroethanol 95.29
    methyl butyrate 112.59

    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

Botanical

Name CAS Botanical Proportion
Elsholtzia incisa Elsholtzia incisa Benth, fam. Lamiaceae (Labiatae) 0.56%