2-Buten-1-ol, 3-phenyl-, 1-acetate

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  • Identifiers

    CAS number
    20883-16-3

    Molecular formula
    C12H14O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 86.14%
    Sweet 85.58%
    Fruity 75.06%
    Balsamic 69.0%
    Green 53.99%
    Spicy 53.27%
    Rose 44.73%
    Honey 44.69%
    Powdery 41.69%
    Cinnamon 38.85%

     

    Flavor
    Sweet 75.09%
    Floral 70.07%
    Balsam 57.35%
    Rose 50.29%
    Honey 43.5%
    Bitter 39.83%
    Fruity 38.8%
    Spicy 37.51%
    Fresh 33.84%
    Cinnamon 31.16%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.79 (neutral)

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 130.97 ˚C est.

  • Synonyms

    • 20883-16-3
    • 2-Buten-1-ol, 3-phenyl-, acetate
    • 2-Buten-1-ol, 3-phenyl-, 1-acetate
    • 3-Phenyl-2-buten-1-ol acetate
    • DTXSID80864965
    • EINECS 244-098-5
    • RefChem:85946
    • DTXCID50813425
    • 3-Phenyl-2-butenyl acetate
    • 3-phenylbut-2-enyl acetate
    • 3-phenylbut-2-en-1-yl acetate
    • SCHEMBL29827845
    • NVIVTRAAPVVZKY-UHFFFAOYSA-N
    • DB-252555
    • NS00085354
    • 20883-16-3

  • Applications

    2-Buten-1-ol, 3-phenyl-, 1-acetate is used as a chemical intermediate in fragrance and flavor chemistry, serving as a versatile building block for aroma compounds and fragrance formulations. It may function as a solvent or processing aid in coatings, inks, and adhesives. In cosmetics and personal care, it can be employed as a fragrance ingredient. It is also evaluated as a building block for polymers and as a precursor in pharmaceutical synthesis, depending on formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 457.86
    methanol 558.25
    isopropanol 273.23
    water 1.39
    ethyl acetate 332.9
    n-propanol 318.94
    acetone 471.32
    n-butanol 212.87
    acetonitrile 447.11
    DMF 842.79
    toluene 112.71
    isobutanol 180.67
    1,4-dioxane 967.16
    methyl acetate 362.24
    THF 563.85
    2-butanone 347.25
    n-pentanol 160.58
    sec-butanol 225.87
    n-hexane 10.27
    ethylene glycol 145.83
    NMP 469.73
    cyclohexane 12.41
    DMSO 993.14
    n-butyl acetate 130.91
    n-octanol 44.77
    chloroform 1039.3
    n-propyl acetate 138.83
    acetic acid 330.34
    dichloromethane 921.84
    cyclohexanone 343.76
    propylene glycol 229.79
    isopropyl acetate 142.89
    DMAc 781.1
    2-ethoxyethanol 371.09
    isopentanol 161.38
    n-heptane 4.99
    ethyl formate 140.48
    1,2-dichloroethane 547.86
    n-hexanol 110.33
    2-methoxyethanol 614.42
    isobutyl acetate 88.46
    tetrachloromethane 54.97
    n-pentyl acetate 62.6
    transcutol 1248.81
    n-heptanol 40.97
    ethylbenzene 61.07
    MIBK 118.94
    2-propoxyethanol 268.5
    tert-butanol 329.95
    MTBE 215.9
    2-butoxyethanol 118.03
    propionic acid 254.69
    o-xylene 70.62
    formic acid 168.72
    diethyl ether 315.02
    m-xylene 67.67
    p-xylene 76.8
    chlorobenzene 170.67
    dimethyl carbonate 139.54
    n-octane 2.56
    formamide 352.88
    cyclopentanone 395.7
    2-pentanone 211.11
    anisole 228.62
    cyclopentyl methyl ether 204.64
    gamma-butyrolactone 464.33
    1-methoxy-2-propanol 367.95
    pyridine 454.76
    3-pentanone 190.48
    furfural 418.16
    n-dodecane 3.08
    diethylene glycol 263.86
    diisopropyl ether 49.31
    tert-amyl alcohol 224.46
    acetylacetone 287.21
    n-hexadecane 3.54
    acetophenone 164.14
    methyl propionate 278.46
    isopentyl acetate 119.56
    trichloroethylene 954.87
    n-nonanol 42.61
    cyclohexanol 149.9
    benzyl alcohol 166.91
    2-ethylhexanol 59.73
    isooctanol 36.07
    dipropyl ether 80.61
    1,2-dichlorobenzene 157.07
    ethyl lactate 82.93
    propylene carbonate 211.25
    n-methylformamide 350.03
    2-pentanol 114.24
    n-pentane 5.78
    1-propoxy-2-propanol 157.09
    1-methoxy-2-propyl acetate 180.19
    2-(2-methoxypropoxy) propanol 178.8
    mesitylene 36.78
    ε-caprolactone 276.94
    p-cymene 32.56
    epichlorohydrin 688.74
    1,1,1-trichloroethane 326.34
    2-aminoethanol 282.81
    morpholine-4-carbaldehyde 592.88
    sulfolane 516.75
    2,2,4-trimethylpentane 6.82
    2-methyltetrahydrofuran 388.05
    n-hexyl acetate 111.26
    isooctane 4.53
    2-(2-butoxyethoxy)ethanol 254.56
    sec-butyl acetate 98.98
    tert-butyl acetate 165.15
    decalin 12.49
    glycerin 267.63
    diglyme 478.23
    acrylic acid 214.4
    isopropyl myristate 46.84
    n-butyric acid 223.8
    acetyl acetate 169.76
    di(2-ethylhexyl) phthalate 55.91
    ethyl propionate 138.69
    nitromethane 658.35
    1,2-diethoxyethane 264.47
    benzonitrile 159.26
    trioctyl phosphate 31.86
    1-bromopropane 221.52
    gamma-valerolactone 563.46
    n-decanol 32.43
    triethyl phosphate 68.54
    4-methyl-2-pentanol 56.7
    propionitrile 248.58
    vinylene carbonate 217.47
    1,1,2-trichlorotrifluoroethane 424.84
    DMS 166.91
    cumene 44.31
    2-octanol 26.85
    2-hexanone 146.45
    octyl acetate 58.54
    limonene 45.76
    1,2-dimethoxyethane 517.01
    ethyl orthosilicate 65.75
    tributyl phosphate 50.7
    diacetone alcohol 201.18
    N,N-dimethylaniline 131.92
    acrylonitrile 306.55
    aniline 206.19
    1,3-propanediol 288.58
    bromobenzene 174.61
    dibromomethane 517.65
    1,1,2,2-tetrachloroethane 764.68
    2-methyl-cyclohexyl acetate 97.99
    tetrabutyl urea 65.71
    diisobutyl methanol 36.76
    2-phenylethanol 116.11
    styrene 90.69
    dioctyl adipate 85.56
    dimethyl sulfate 247.56
    ethyl butyrate 105.27
    methyl lactate 136.68
    butyl lactate 71.15
    diethyl carbonate 90.04
    propanediol butyl ether 132.72
    triethyl orthoformate 83.26
    p-tert-butyltoluene 31.65
    methyl 4-tert-butylbenzoate 120.93
    morpholine 953.03
    tert-butylamine 154.2
    n-dodecanol 25.26
    dimethoxymethane 431.54
    ethylene carbonate 178.47
    cyrene 164.56
    2-ethoxyethyl acetate 145.34
    2-ethylhexyl acetate 95.85
    1,2,4-trichlorobenzene 214.73
    4-methylpyridine 352.45
    dibutyl ether 76.78
    2,6-dimethyl-4-heptanol 36.76
    DEF 295.87
    dimethyl isosorbide 269.12
    tetrachloroethylene 401.78
    eugenol 131.73
    triacetin 161.45
    span 80 120.12
    1,4-butanediol 115.46
    1,1-dichloroethane 460.2
    2-methyl-1-pentanol 130.73
    methyl formate 216.67
    2-methyl-1-butanol 163.59
    n-decane 4.79
    butyronitrile 197.59
    3,7-dimethyl-1-octanol 53.05
    1-chlorooctane 30.39
    1-chlorotetradecane 12.94
    n-nonane 4.23
    undecane 3.75
    tert-butylcyclohexane 13.0
    cyclooctane 3.62
    cyclopentanol 157.4
    tetrahydropyran 484.05
    tert-amyl methyl ether 148.55
    2,5,8-trioxanonane 356.9
    1-hexene 64.31
    2-isopropoxyethanol 201.86
    2,2,2-trifluoroethanol 111.68
    methyl butyrate 170.5

    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