4-(p-Acetoxyphenyl)-2-butanone

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  • Identifiers

    CAS number
    3572-06-3

    Molecular formula
    C12H14O3

    SMILES
    CC(=O)CCC1=CC=C(C=C1)OC(=O)C

  • Odor profile

    Fragrance
    Fruity 80.08%
    Floral 65.58%
    Woody 55.87%
    Sweet 51.29%
    Berry 48.76%
    Balsamic 41.74%
    Raspberry 40.61%
    Spicy 39.14%
    Dry 37.41%
    Powdery 36.08%

     

    Flavor
    Sweet 94.26%
    Floral 62.98%
    Fruity 54.85%
    Spicy 43.15%
    Powdery 41.08%
    Woody 40.85%
    Balsam 39.9%
    Raspberry 38.73%
    Jam 31.4%
    Vanilla 31.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.59 (weak base)

    Molecular weight
    206.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 123.00 to 124.00 °C. @ 0.20 mm Hg

    Flash point

    • 149.63 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in fat
    • miscible (in ethanol)

  • Synonyms

    • 4-(3-Oxobutyl)phenyl acetate
    • 3572-06-3
    • Cue-lure
    • 4-(4-Acetoxyphenyl)-2-butanone
    • Cuelure
    • Q-Lure
    • 4-(p-Acetoxyphenyl)-2-butanone
    • Pherocon QFF
    • p-(3-Oxobutyl)phenyl acetate
    • [4-(3-oxobutyl)phenyl] acetate
    • 4-(p-Hydroxyphenyl)-2-butanone acetate
    • para-(2-Acetylethyl)phenyl acetate
    • ENT-32833
    • Acetate of 4-(hydroxyphenyl)-2-butanone
    • FEMA No. 3652
    • 2-Butanone, 4-[4-(acetyloxy)phenyl]-
    • 4-(p-Hydroxyphenyl)-2-butanone, acetate
    • 2-BUTANONE, 4-(p-HYDROXYPHENYL)-, ACETATE
    • NSC 39438
    • 4-(4-(Acetyloxy)phenyl)-2-butanone
    • 4-[4-(Acetyloxy)phenyl]-2-Butanone
    • RASPBERRY KETONE ACETATE
    • 2-Butanone, 4-(4-(acetyloxy)phenyl)-
    • Hydroxyphenylbutanone acetate, p-
    • 040RZ09S0V
    • 4-ACETOXYPHENYL-2-BUTANONE
    • 4-(4-Acetyloxyphenyl)-2-butanone
    • CUELURE [MI]
    • EINECS 222-682-0
    • NSC-39438
    • BRN 1961620
    • AI3-31833
    • DTXSID2035481
    • 4-(3-OXOBUTYL)PHENYLACETATE
    • 4-(4-ACETOXYPHENYL)BUTAN-2-ONE
    • 4-(P-ACETOXYPHENYL)-2-BUTANONE [FHFI]
    • 26952-37-4
    • cuelire
    • pestanal
    • cue lire
    • Cue lure
    • Q lure
    • NSC39438
    • EINECS 248-136-1
    • MFCD00008704
    • Cue-lure (Standard)
    • WLN: 1VOR D2V1
    • SCHEMBL404104
    • UNII-040RZ09S0V
    • CHEMBL3187562
    • DTXCID0015481
    • FEMA 3652
    • HY-N7099R
    • p-(2-Acetylethyl) phenylacetate
    • 4-(3-Oxobutyl)phenyl acetate #
    • CHEBI:173583
    • 4-4-(Acetyloxy)phenyl-2-butanone
    • HY-N7099
    • Tox21_301631
    • BBL009830
    • s5348
    • STK801281
    • 4-(3-Oxobutyl)phenyl acetate, 98%
    • AKOS005608358
    • CCG-231276
    • CS-W015323
    • Acetic Acid 4-(3-Oxobutyl)phenyl Ester
    • NCGC00255478-01
    • VS-02205
    • CAS-3572-06-3
    • Cuelure, PESTANAL(R), analytical standard
    • DB-002679
    • A2368
    • NS00013098
    • Pherocon (4-(4-Acetoxyphenyl)-2-butanone)
    • 4-(p-Acetoxyphenyl)-2-butanone, >=96%, FG
    • D88519
    • M01526
    • Q15632725
    • Cue-lure 4-(p-Acetoxyphenyl)-2-butanone 4-(4-Acetoxyphenyl)-2-butanone,

  • Applications

    4-(p-Acetoxyphenyl)-2-butanone is primarily used as a fragrance intermediate and a synthesis building block for aromatic ketones in the fragrance industry; it serves as a precursor to related aryl ketone aroma compounds in fragrance formulations. It may be evaluated for use in cosmetics and personal care as an aroma component, and can appear in flavor or fragrance formulations for consumer products. In industrial manufacturing, it acts as an intermediate for preparing further aryl ketone derivatives and related compounds in aromatic chemical supply chains, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 264.23
    methanol 388.95
    isopropanol 182.53
    water 3.06
    ethyl acetate 129.83
    n-propanol 126.22
    acetone 402.95
    n-butanol 97.27
    acetonitrile 193.16
    DMF 824.85
    toluene 14.02
    isobutanol 85.46
    1,4-dioxane 309.93
    methyl acetate 215.97
    THF 366.23
    2-butanone 184.44
    n-pentanol 70.79
    sec-butanol 93.47
    n-hexane 0.83
    ethylene glycol 138.09
    NMP 299.79
    cyclohexane 0.59
    DMSO 841.03
    n-butyl acetate 64.62
    n-octanol 34.45
    chloroform 196.11
    n-propyl acetate 66.03
    acetic acid 287.36
    dichloromethane 172.71
    cyclohexanone 138.32
    propylene glycol 212.03
    isopropyl acetate 76.19
    DMAc 870.34
    2-ethoxyethanol 291.4
    isopentanol 86.04
    n-heptane 0.6
    ethyl formate 97.32
    1,2-dichloroethane 97.89
    n-hexanol 44.77
    2-methoxyethanol 569.7
    isobutyl acetate 52.67
    tetrachloromethane 8.21
    n-pentyl acetate 32.34
    transcutol 775.57
    n-heptanol 21.73
    ethylbenzene 15.98
    MIBK 74.49
    2-propoxyethanol 209.62
    tert-butanol 224.05
    MTBE 95.44
    2-butoxyethanol 83.09
    propionic acid 150.83
    o-xylene 14.85
    formic acid 182.91
    diethyl ether 60.24
    m-xylene 13.92
    p-xylene 25.53
    chlorobenzene 39.08
    dimethyl carbonate 97.47
    n-octane 0.62
    formamide 292.12
    cyclopentanone 209.96
    2-pentanone 102.01
    anisole 113.0
    cyclopentyl methyl ether 72.03
    gamma-butyrolactone 266.14
    1-methoxy-2-propanol 355.87
    pyridine 113.23
    3-pentanone 63.72
    furfural 267.29
    n-dodecane 1.58
    diethylene glycol 266.86
    diisopropyl ether 13.08
    tert-amyl alcohol 120.6
    acetylacetone 202.71
    n-hexadecane 1.77
    acetophenone 95.78
    methyl propionate 126.89
    isopentyl acetate 69.3
    trichloroethylene 214.23
    n-nonanol 31.85
    cyclohexanol 51.81
    benzyl alcohol 96.19
    2-ethylhexanol 28.11
    isooctanol 20.29
    dipropyl ether 26.56
    1,2-dichlorobenzene 47.35
    ethyl lactate 65.14
    propylene carbonate 135.16
    n-methylformamide 284.29
    2-pentanol 45.7
    n-pentane 0.36
    1-propoxy-2-propanol 115.27
    1-methoxy-2-propyl acetate 121.69
    2-(2-methoxypropoxy) propanol 151.29
    mesitylene 9.3
    ε-caprolactone 133.29
    p-cymene 12.78
    epichlorohydrin 326.68
    1,1,1-trichloroethane 72.84
    2-aminoethanol 212.54
    morpholine-4-carbaldehyde 465.99
    sulfolane 294.63
    2,2,4-trimethylpentane 1.33
    2-methyltetrahydrofuran 158.71
    n-hexyl acetate 70.07
    isooctane 0.99
    2-(2-butoxyethoxy)ethanol 192.56
    sec-butyl acetate 50.35
    tert-butyl acetate 96.41
    decalin 2.27
    glycerin 293.1
    diglyme 334.07
    acrylic acid 143.24
    isopropyl myristate 30.05
    n-butyric acid 134.06
    acetyl acetate 100.48
    di(2-ethylhexyl) phthalate 40.55
    ethyl propionate 65.76
    nitromethane 549.68
    1,2-diethoxyethane 126.56
    benzonitrile 85.32
    trioctyl phosphate 23.34
    1-bromopropane 29.82
    gamma-valerolactone 391.45
    n-decanol 24.47
    triethyl phosphate 38.67
    4-methyl-2-pentanol 33.53
    propionitrile 89.08
    vinylene carbonate 127.87
    1,1,2-trichlorotrifluoroethane 259.13
    DMS 104.95
    cumene 16.07
    2-octanol 17.38
    2-hexanone 73.28
    octyl acetate 38.22
    limonene 15.3
    1,2-dimethoxyethane 418.49
    ethyl orthosilicate 35.53
    tributyl phosphate 37.44
    diacetone alcohol 169.51
    N,N-dimethylaniline 72.16
    acrylonitrile 136.55
    aniline 62.56
    1,3-propanediol 254.72
    bromobenzene 31.89
    dibromomethane 73.18
    1,1,2,2-tetrachloroethane 179.43
    2-methyl-cyclohexyl acetate 53.98
    tetrabutyl urea 51.56
    diisobutyl methanol 19.27
    2-phenylethanol 68.66
    styrene 21.85
    dioctyl adipate 55.13
    dimethyl sulfate 185.06
    ethyl butyrate 50.35
    methyl lactate 123.34
    butyl lactate 48.18
    diethyl carbonate 46.91
    propanediol butyl ether 130.46
    triethyl orthoformate 42.94
    p-tert-butyltoluene 12.84
    methyl 4-tert-butylbenzoate 82.48
    morpholine 364.32
    tert-butylamine 72.8
    n-dodecanol 19.15
    dimethoxymethane 327.19
    ethylene carbonate 100.4
    cyrene 126.4
    2-ethoxyethyl acetate 81.81
    2-ethylhexyl acetate 48.62
    1,2,4-trichlorobenzene 67.26
    4-methylpyridine 132.28
    dibutyl ether 40.31
    2,6-dimethyl-4-heptanol 19.27
    DEF 148.1
    dimethyl isosorbide 200.31
    tetrachloroethylene 76.11
    eugenol 97.22
    triacetin 114.11
    span 80 92.66
    1,4-butanediol 95.68
    1,1-dichloroethane 90.91
    2-methyl-1-pentanol 66.88
    methyl formate 218.64
    2-methyl-1-butanol 69.19
    n-decane 2.19
    butyronitrile 87.05
    3,7-dimethyl-1-octanol 37.72
    1-chlorooctane 13.89
    1-chlorotetradecane 7.21
    n-nonane 1.69
    undecane 1.83
    tert-butylcyclohexane 2.97
    cyclooctane 0.28
    cyclopentanol 73.05
    tetrahydropyran 111.03
    tert-amyl methyl ether 64.51
    2,5,8-trioxanonane 257.63
    1-hexene 8.56
    2-isopropoxyethanol 157.11
    2,2,2-trifluoroethanol 101.97
    methyl butyrate 87.66

    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