4-Acetylanisole

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  • Identifiers

    CAS number
    100-06-1

    Molecular formula
    C9H10O2

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1348.0
    • Carbowax: 2115.0

  • Odor profile

    Sweet 91.35%
    Floral 84.01%
    Anisic 67.09%
    Hawthorn 66.72%
    Vanilla 66.28%
    Powdery 63.46%
    Hay 57.19%
    Cherry 55.84%
    Coumarinic 52.27%
    Balsamic 49.0%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.02 (neutral)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 38.2 °C
    • 38 - 39 °C

    Boiling point

    • 254 °C
    • 152.00 to 154.00 °C. @ 26.00 mm Hg

    Flash point est.
    103.37 ˚C

    Flash point expt.

    • 138 °C (280 °F) - open cup

    Solubility expt.

    • Soluble in ethanol, diethyl ether, acetone and chloroform
    • Soluble in alcohol, ether, fixed oils
    • Soluble in fixed oils, propylene glycol; miscible with glycerin
    • insoluble in water; soluble in organic solvents, oils
    • very soluble (in ethanol)

  • Synonyms

    • 4'-Methoxyacetophenone
    • 100-06-1
    • 4-Methoxyacetophenone
    • 4-Acetylanisole
    • 1-(4-Methoxyphenyl)ethanone
    • p-Methoxyacetophenone
    • Acetanisole
    • Novatone
    • Ethanone, 1-(4-methoxyphenyl)-
    • Linarodin
    • 1-(4-methoxyphenyl)ethan-1-one
    • Vananote
    • P-ACETYLANISOLE
    • 4-Methoxyphenyl methyl ketone
    • Acetophenone, 4'-methoxy-
    • p-Methoxyphenyl methyl ketone
    • Methyl p-methoxyphenyl ketone
    • 4-Methoxyacetofenon
    • p-methoxy acetophenone
    • Methyl 4-methoxyphenyl ketone
    • FEMA No. 2005
    • Anisyl, p-, methyl ketone
    • 4-Methoxyacetofenon [Czech]
    • acetylanisole
    • 4-Methoxy-acetophenone
    • NSC 209523
    • EINECS 202-815-9
    • UNII-0IRH2BR587
    • MFCD00008745
    • p-Metoxyacetophenone
    • 0IRH2BR587
    • DTXSID2044347
    • CHEBI:86567
    • 4-methoxy acetophenone
    • AI3-00227
    • para-Methoxyacetophenone
    • 4'-methoxy-acetophenone
    • NSC-5601
    • Acetophenone, p-methoxy-
    • ACETANISOLE [FCC]
    • ACETANISOLE [FHFI]
    • NSC-209523
    • 1-(4-methoxyphenyl)-ethanone
    • CHEMBL401912
    • DTXCID0024347
    • HSDB 8319
    • EC 202-815-9
    • 1-(4-methoxyphenyl)ethanone-OCD3
    • Acetanisole (FCC)
    • 4-Methoxyacetofenon (Czech)
    • WLN: 1VR DO1
    • 4-METHOXYACETOPHENONE (D3)
    • 1804943-43-8
    • pAcetylanisole
    • Bananote
    • 4-Acetoanisole
    • 4-Methoxyphenylacetone; Mebeverine Hydrochloride Imp. A (Pharmeuropa)
    • 4Methoxyacetofenon
    • pMethoxyacetophenone
    • 4methoxyacetophenone
    • p-methoxyactophenone
    • 4'methoxyacetophenone
    • paramethoxyacetophenone
    • p -methoxyacetophenone
    • p-methoxy-acetophenone
    • Acetophenone, 4'methoxy
    • 1(4Methoxyphenyl)ethanone
    • Anisyl, p, methyl ketone
    • bmse010024
    • Methyl pmethoxyphenyl ketone
    • pMethoxyphenyl methyl ketone
    • methyl 4methoxyphenyl ketone
    • 4Methoxyphenyl methyl ketone
    • SCHEMBL41285
    • Ethanone, 1(4methoxyphenyl)
    • 1-(4-methoxy-phenyl)ethanone
    • 1-(4-methoxyphenyl) ethanone
    • 4'-Methoxyacetophenone, 99%
    • 1-(4-Methoxy-phenyl)-ethanone
    • 1-(4-Methoxyphenyl)ethanone #
    • SCHEMBL12015229
    • FEMA 2005
    • 1-[4-(methyloxy)phenyl]ethanone
    • NSC5601
    • Acetanisole, >=98%, FCC, FG
    • HY-Y0024
    • STR00157
    • Tox21_300687
    • BDBM50376209
    • NSC209523
    • STK498196
    • AKOS000119536
    • FM33959
    • PS-3395
    • Ethanone, 1-(4-methoxyphenyl)-(9CI)
    • NCGC00188270-01
    • NCGC00188270-02
    • NCGC00254595-01
    • AC-10916
    • CAS-100-06-1
    • 4'-Methoxyacetophenone, analytical standard
    • DB-003499
    • CS-0008322
    • M0105
    • NS00006071
    • EN300-16104
    • D71251
    • 4'-Methoxyacetophenone, purum, >=99.0% (GC)
    • AB-131/40174083
    • Q229995
    • doi:10.14272/NTPLXRHDUXRPNE-UHFFFAOYSA-N.2
    • Z53832960
    • F0001-0007
    • Flavor and Extract Manufacturers' Association No. 2005
    • 202-815-9
    • 4-Acetylanisole 4'-Methoxyacetophenone 1-(4-Methoxyphenyl)ethanone Acetanisole Novatone 4-Acetylanisole Linarodin Vananote Acetophenone, 4'-methoxy- Ethanone, 1-(4-methoxyphenyl)- p-Methoxyacetophenone
    • 922-271-2
    • O9F

  • Applications

    Acetanisole (also known as p-methoxyacetophenone, CAS 100-06-1) is a versatile fragrance ingredient with a sweet, vanilla-like, floral note that serves both as a flavoring and a fixative in fine perfumes, scented candles, soaps and air fresheners; in the food industry it enhances taste in confectionery, baked goods, beverages, ice creams and dairy products thanks to good heat stability, low volatility and synergy with vanillin and ethyl maltol; in pharmaceuticals and agrochemicals it functions as an intermediate for anti-inflammatory and antimicrobial agents and as an insect attractant in ecological studies; furthermore, the compound is employed as an internal standard in GC-MS flavor analysis and as a polymer modifier that imparts traceable aroma to biodegradable plastics, all while observing international food-safety and cosmetic regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 126.53
    methanol 161.53
    isopropanol 87.31
    water 5.1
    ethyl acetate 228.52
    n-propanol 102.86
    acetone 288.68
    n-butanol 85.64
    acetonitrile 275.83
    DMF 570.49
    toluene 110.31
    isobutanol 72.77
    1,4-dioxane 592.7
    methyl acetate 288.71
    THF 513.98
    2-butanone 249.21
    n-pentanol 64.18
    sec-butanol 84.92
    n-hexane 16.26
    ethylene glycol 74.4
    NMP 715.84
    cyclohexane 26.29
    DMSO 580.59
    n-butyl acetate 104.71
    n-octanol 22.1
    chloroform 621.68
    n-propyl acetate 109.01
    acetic acid 344.96
    dichloromethane 649.94
    cyclohexanone 304.42
    propylene glycol 59.96
    isopropyl acetate 120.27
    DMAc 670.5
    2-ethoxyethanol 212.98
    isopentanol 80.56
    n-heptane 6.4
    ethyl formate 141.44
    1,2-dichloroethane 426.2
    n-hexanol 49.52
    2-methoxyethanol 329.36
    isobutyl acetate 62.4
    tetrachloromethane 101.9
    n-pentyl acetate 50.95
    transcutol 939.52
    n-heptanol 22.89
    ethylbenzene 60.73
    MIBK 93.84
    2-propoxyethanol 154.46
    tert-butanol 157.36
    MTBE 205.36
    2-butoxyethanol 77.85
    propionic acid 177.46
    o-xylene 85.26
    formic acid 255.55
    diethyl ether 236.51
    m-xylene 64.94
    p-xylene 72.19
    chlorobenzene 197.49
    dimethyl carbonate 165.58
    n-octane 1.78
    formamide 512.03
    cyclopentanone 377.83
    2-pentanone 154.07
    anisole 243.63
    cyclopentyl methyl ether 225.47
    gamma-butyrolactone 497.63
    1-methoxy-2-propanol 196.96
    pyridine 389.68
    3-pentanone 177.93
    furfural 562.17
    n-dodecane 1.69
    diethylene glycol 174.0
    diisopropyl ether 57.51
    tert-amyl alcohol 148.14
    acetylacetone 249.65
    n-hexadecane 2.04
    acetophenone 197.6
    methyl propionate 213.59
    isopentyl acetate 100.99
    trichloroethylene 890.52
    n-nonanol 22.3
    cyclohexanol 95.35
    benzyl alcohol 134.59
    2-ethylhexanol 36.41
    isooctanol 20.9
    dipropyl ether 63.19
    1,2-dichlorobenzene 226.16
    ethyl lactate 68.1
    propylene carbonate 231.86
    n-methylformamide 299.45
    2-pentanol 56.97
    n-pentane 13.09
    1-propoxy-2-propanol 90.23
    1-methoxy-2-propyl acetate 164.5
    2-(2-methoxypropoxy) propanol 163.79
    mesitylene 42.5
    ε-caprolactone 276.88
    p-cymene 31.69
    epichlorohydrin 620.59
    1,1,1-trichloroethane 354.79
    2-aminoethanol 112.58
    morpholine-4-carbaldehyde 682.81
    sulfolane 592.6
    2,2,4-trimethylpentane 11.55
    2-methyltetrahydrofuran 362.65
    n-hexyl acetate 79.95
    isooctane 6.24
    2-(2-butoxyethoxy)ethanol 180.62
    sec-butyl acetate 84.15
    tert-butyl acetate 166.37
    decalin 17.94
    glycerin 139.01
    diglyme 439.59
    acrylic acid 232.86
    isopropyl myristate 35.09
    n-butyric acid 152.86
    acetyl acetate 220.78
    di(2-ethylhexyl) phthalate 46.16
    ethyl propionate 122.57
    nitromethane 817.92
    1,2-diethoxyethane 208.98
    benzonitrile 164.22
    trioctyl phosphate 24.64
    1-bromopropane 159.06
    gamma-valerolactone 530.99
    n-decanol 16.34
    triethyl phosphate 79.21
    4-methyl-2-pentanol 37.53
    propionitrile 168.59
    vinylene carbonate 256.93
    1,1,2-trichlorotrifluoroethane 459.95
    DMS 190.03
    cumene 40.81
    2-octanol 13.91
    2-hexanone 111.28
    octyl acetate 41.8
    limonene 46.33
    1,2-dimethoxyethane 396.25
    ethyl orthosilicate 71.95
    tributyl phosphate 43.41
    diacetone alcohol 162.97
    N,N-dimethylaniline 137.69
    acrylonitrile 248.43
    aniline 182.37
    1,3-propanediol 128.53
    bromobenzene 197.3
    dibromomethane 340.34
    1,1,2,2-tetrachloroethane 631.47
    2-methyl-cyclohexyl acetate 92.33
    tetrabutyl urea 54.78
    diisobutyl methanol 25.08
    2-phenylethanol 93.32
    styrene 92.9
    dioctyl adipate 72.84
    dimethyl sulfate 323.34
    ethyl butyrate 94.23
    methyl lactate 115.74
    butyl lactate 49.12
    diethyl carbonate 92.54
    propanediol butyl ether 74.33
    triethyl orthoformate 87.58
    p-tert-butyltoluene 31.66
    methyl 4-tert-butylbenzoate 117.55
    morpholine 527.76
    tert-butylamine 99.57
    n-dodecanol 12.81
    dimethoxymethane 321.1
    ethylene carbonate 194.52
    cyrene 172.55
    2-ethoxyethyl acetate 134.05
    2-ethylhexyl acetate 87.04
    1,2,4-trichlorobenzene 289.21
    4-methylpyridine 299.43
    dibutyl ether 47.83
    2,6-dimethyl-4-heptanol 25.08
    DEF 262.06
    dimethyl isosorbide 274.55
    tetrachloroethylene 408.31
    eugenol 115.05
    triacetin 161.24
    span 80 90.71
    1,4-butanediol 53.15
    1,1-dichloroethane 306.63
    2-methyl-1-pentanol 70.65
    methyl formate 229.21
    2-methyl-1-butanol 83.67
    n-decane 2.92
    butyronitrile 114.18
    3,7-dimethyl-1-octanol 32.54
    1-chlorooctane 18.29
    1-chlorotetradecane 8.21
    n-nonane 2.5
    undecane 2.12
    tert-butylcyclohexane 14.29
    cyclooctane 8.02
    cyclopentanol 108.82
    tetrahydropyran 322.05
    tert-amyl methyl ether 164.1
    2,5,8-trioxanonane 324.12
    1-hexene 47.07
    2-isopropoxyethanol 130.37
    2,2,2-trifluoroethanol 193.75
    methyl butyrate 135.86

    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
Anise seed 1 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.94%
Celery seed (Egypt) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.48%
Olibanum, African (Oman) 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.01%