Anisylacetone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    104-20-1

    Molecular formula
    C11H14O2

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

    Retention indicies (RI)

    • Carbowax: 2236.0

  • Odor profile

    Fruity 85.24%
    Floral 79.41%
    Sweet 78.15%
    Berry 47.2%
    Balsamic 45.68%
    Cherry 44.35%
    Raspberry 42.94%
    Anisic 41.73%
    Powdery 40.98%
    Woody 40.2%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.18 (weak base)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 9 - 10 °C

    Boiling point

    • 152.00 to 153.00 °C. @ 15.00 mm Hg

    Flash point est.
    111.13 ˚C

    Solubility expt.

    • very slightly
    • insoluble in water, soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 4-(4-Methoxyphenyl)-2-butanone
    • 104-20-1
    • Anisylacetone
    • 4-(4-Methoxyphenyl)butan-2-one
    • 2-BUTANONE, 4-(4-METHOXYPHENYL)-
    • 4-Methoxybenzylacetone
    • Raspberry ketone methyl ether
    • 4-(p-Methoxyphenyl)-2-butanone
    • Anisylacetone, p-
    • Methyl oxanone
    • 2-Butanone, 4-(p-methoxyphenyl)-
    • p-Methoxyphenylbutanone
    • 1-(4-Methoxyphenyl)-3-butanone
    • Rasberry ketone methyl ether
    • FEMA No. 2672
    • Methoxybenzylacetone, p-
    • ENT 20,279
    • 1-(p-Methoxyphenyl)-3-butanone-
    • p-Methoxybenzylacetone
    • ANISYL ACETONE
    • NSC 405366
    • 1-(p-Methoxyphenyl)-3-butanone
    • 4-(4-methoxyphenyl)-butan-2-one
    • UNII-GVG47S4S5V
    • EINECS 203-184-2
    • GVG47S4S5V
    • BRN 1869592
    • DTXSID5047166
    • 4-(p-Methoxyphenyl)-2-butanone (natural)
    • AI3-20279
    • MFCD00008791
    • NSC-405366
    • 4-p-methoxyphenyl-2-butanone
    • DTXCID3027166
    • FEMA 2672
    • 4-(para-methoxyphenyl)-2-butanone
    • 4-08-00-00506 (Beilstein Handbook Reference)
    • 4-(4-methoxy-phenyl)-butan-2-one
    • ENT-20279
    • 4-P-METHOXYPHENYL-2-BUTANONE [FCC]
    • 4-(P-METHOXYPHENYL)-2-BUTANONE [FHFI]
    • CAS-104-20-1
    • SCHEMBL1334
    • 2-Butanone, 4-(p-methoxyphenyl)- (6CI,7CI,8CI)
    • CHEMBL3184371
    • CHEBI:169538
    • Tox21_113654
    • Tox21_301165
    • BBL027730
    • NSC405366
    • STL146341
    • AKOS000120662
    • FM06047
    • 4-(4-Methoxyphenyl)-2-butanone, 98%
    • NCGC00248312-01
    • NCGC00248312-02
    • NCGC00255063-01
    • 4-(P- METHOXYPHENYL)-2-BUTANONE
    • AS-60156
    • DB-003441
    • HY-116047
    • CS-0063594
    • M0756
    • NS00012837
    • EN300-16160
    • D70489
    • SR-01000944748
    • 2-Butanone, 4-(p-methoxyphenyl)-(6CI,7CI,8CI)
    • SR-01000944748-1
    • 4-(4-Methoxyphenyl)-2-butanone, >=98%, FCC, FG
    • Q15632756

  • Applications

    4-(4-Methoxyphenyl)-2-butanone (also known as p-anisylacetone) is a versatile aroma compound valued by perfumery, cosmetic and food industries for its warm, sweet, fruity-vanilla note with a hint of anise, acting both as a primary fragrance and as a fixative that prolongs scent persistence in perfumes, soaps, detergents and scented candles; it further serves as a key intermediate in pharmaceutical and agrochemical synthesis, a model carbonyl substrate for academic studies, a property-modifying additive in polymers, and an aroma marker or internal standard in food-flavour analysis.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1507.29
    methanol 1678.42
    isopropanol 968.7
    water 8.79
    ethyl acetate 1011.06
    n-propanol 822.24
    acetone 572.31
    n-butanol 613.68
    acetonitrile 952.15
    DMF 444.85
    toluene 188.71
    isobutanol 443.21
    1,4-dioxane 2267.18
    methyl acetate 855.38
    THF 809.67
    2-butanone 477.66
    n-pentanol 379.87
    sec-butanol 540.75
    n-hexane 6.96
    ethylene glycol 555.43
    NMP 166.92
    cyclohexane 23.34
    DMSO 655.43
    n-butyl acetate 216.43
    n-octanol 96.28
    chloroform 1355.74
    n-propyl acetate 268.61
    acetic acid 859.54
    dichloromethane 1230.99
    cyclohexanone 403.13
    propylene glycol 786.48
    isopropyl acetate 329.57
    DMAc 549.85
    2-ethoxyethanol 1056.61
    isopentanol 353.32
    n-heptane 10.82
    ethyl formate 423.04
    1,2-dichloroethane 587.52
    n-hexanol 261.09
    2-methoxyethanol 1694.45
    isobutyl acetate 144.71
    tetrachloromethane 94.45
    n-pentyl acetate 93.87
    transcutol 1757.28
    n-heptanol 89.96
    ethylbenzene 88.72
    MIBK 147.58
    2-propoxyethanol 657.78
    tert-butanol 958.41
    MTBE 384.48
    2-butoxyethanol 242.98
    propionic acid 597.0
    o-xylene 110.41
    formic acid 446.64
    diethyl ether 528.22
    m-xylene 103.42
    p-xylene 108.48
    chlorobenzene 227.52
    dimethyl carbonate 186.65
    n-octane 6.56
    formamide 687.81
    cyclopentanone 298.5
    2-pentanone 301.01
    anisole 337.12
    cyclopentyl methyl ether 259.89
    gamma-butyrolactone 462.3
    1-methoxy-2-propanol 940.68
    pyridine 671.49
    3-pentanone 222.79
    furfural 544.14
    n-dodecane 8.56
    diethylene glycol 716.37
    diisopropyl ether 77.03
    tert-amyl alcohol 445.83
    acetylacetone 401.35
    n-hexadecane 9.51
    acetophenone 226.34
    methyl propionate 489.6
    isopentyl acetate 172.81
    trichloroethylene 1040.1
    n-nonanol 89.13
    cyclohexanol 367.24
    benzyl alcohol 321.69
    2-ethylhexanol 108.55
    isooctanol 64.71
    dipropyl ether 138.18
    1,2-dichlorobenzene 175.84
    ethyl lactate 155.25
    propylene carbonate 273.62
    n-methylformamide 458.36
    2-pentanol 311.02
    n-pentane 8.05
    1-propoxy-2-propanol 342.33
    1-methoxy-2-propyl acetate 327.97
    2-(2-methoxypropoxy) propanol 250.5
    mesitylene 53.96
    ε-caprolactone 405.75
    p-cymene 43.56
    epichlorohydrin 821.33
    1,1,1-trichloroethane 505.51
    2-aminoethanol 876.24
    morpholine-4-carbaldehyde 700.12
    sulfolane 304.24
    2,2,4-trimethylpentane 9.19
    2-methyltetrahydrofuran 538.77
    n-hexyl acetate 156.95
    isooctane 6.8
    2-(2-butoxyethoxy)ethanol 405.22
    sec-butyl acetate 167.33
    tert-butyl acetate 259.55
    decalin 15.61
    glycerin 772.42
    diglyme 747.42
    acrylic acid 431.97
    isopropyl myristate 67.72
    n-butyric acid 674.12
    acetyl acetate 441.44
    di(2-ethylhexyl) phthalate 69.77
    ethyl propionate 249.43
    nitromethane 1126.46
    1,2-diethoxyethane 455.79
    benzonitrile 270.25
    trioctyl phosphate 42.36
    1-bromopropane 253.31
    gamma-valerolactone 719.32
    n-decanol 70.6
    triethyl phosphate 86.09
    4-methyl-2-pentanol 116.79
    propionitrile 509.72
    vinylene carbonate 312.32
    1,1,2-trichlorotrifluoroethane 611.15
    DMS 209.66
    cumene 53.53
    2-octanol 54.99
    2-hexanone 192.22
    octyl acetate 86.7
    limonene 61.24
    1,2-dimethoxyethane 1021.57
    ethyl orthosilicate 86.18
    tributyl phosphate 60.18
    diacetone alcohol 317.07
    N,N-dimethylaniline 158.87
    acrylonitrile 552.93
    aniline 397.07
    1,3-propanediol 1103.38
    bromobenzene 211.34
    dibromomethane 623.08
    1,1,2,2-tetrachloroethane 808.3
    2-methyl-cyclohexyl acetate 117.52
    tetrabutyl urea 76.02
    diisobutyl methanol 63.01
    2-phenylethanol 233.34
    styrene 127.03
    dioctyl adipate 105.53
    dimethyl sulfate 207.42
    ethyl butyrate 176.47
    methyl lactate 248.3
    butyl lactate 103.18
    diethyl carbonate 143.9
    propanediol butyl ether 252.69
    triethyl orthoformate 126.46
    p-tert-butyltoluene 43.65
    methyl 4-tert-butylbenzoate 142.43
    morpholine 2004.42
    tert-butylamine 381.93
    n-dodecanol 58.38
    dimethoxymethane 585.15
    ethylene carbonate 297.01
    cyrene 186.35
    2-ethoxyethyl acetate 229.57
    2-ethylhexyl acetate 120.8
    1,2,4-trichlorobenzene 224.46
    4-methylpyridine 520.34
    dibutyl ether 124.12
    2,6-dimethyl-4-heptanol 63.01
    DEF 352.34
    dimethyl isosorbide 307.59
    tetrachloroethylene 442.62
    eugenol 167.38
    triacetin 227.0
    span 80 179.44
    1,4-butanediol 405.24
    1,1-dichloroethane 672.38
    2-methyl-1-pentanol 229.7
    methyl formate 336.23
    2-methyl-1-butanol 313.29
    n-decane 12.69
    butyronitrile 443.52
    3,7-dimethyl-1-octanol 93.56
    1-chlorooctane 52.21
    1-chlorotetradecane 25.76
    n-nonane 11.24
    undecane 9.95
    tert-butylcyclohexane 15.62
    cyclooctane 7.34
    cyclopentanol 309.02
    tetrahydropyran 894.14
    tert-amyl methyl ether 209.28
    2,5,8-trioxanonane 524.56
    1-hexene 59.02
    2-isopropoxyethanol 513.55
    2,2,2-trifluoroethanol 260.84
    methyl butyrate 293.78

    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
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.16%
Agarwood smoke 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 2.37%