4-Propanoylanisole

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    121-97-1

    Molecular formula
    C10H12O2

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 2241.0

  • Odor profile

    Sweet 60.35%
    Floral 55.9%
    Anisic 51.2%
    Vanilla 49.74%
    Hay 42.2%
    Fruity 41.49%
    Powdery 40.04%
    Herbal 39.44%
    Hawthorn 38.13%
    Cherry 37.31%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.3 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    267°C

    Flash point est.
    104.11 ˚C

  • Synonyms

    • 4'-Methoxypropiophenone
    • 121-97-1
    • p-Methoxypropiophenone
    • 4-Methoxypropiophenone
    • 1-(4-methoxyphenyl)propan-1-one
    • 1-Propanone, 1-(4-methoxyphenyl)-
    • Propiophenone, 4'-methoxy-
    • Ethyl 4-methoxyphenyl ketone
    • 1-(4-Methoxyphenyl)-1-propanone
    • 4-Propanoylanisole
    • 1-(4-methoxy-phenyl)-propan-1-one
    • V4W5HX9O2D
    • EINECS 204-512-7
    • MFCD00009310
    • NSC 11834
    • NSC-11834
    • AI3-04094
    • DTXSID0059536
    • PROPIOPHENONE, P-METHOXY-
    • EC 204-512-7
    • ETHYL P-METHOXYPHENYL KETONE
    • 1-METHOXY-4-PROPANOYLBENZENE
    • 1-PROPANOYL-4-METHOXYBENZENE
    • 4'-Methoxypropiophenone; Ethyl 4-methoxyphenyl ketone; Ethyl p-methoxyphenyl ketone; NSC 11834
    • 1-(4-Methoxyphenyl)-1-propanone; 4-Propanoylanisole; Ethyl p-Methoxyphenyl Ketone; NSC 11834;
    • NSC11834
    • p-methoxy-propiophenone
    • para-methoxypropiophenone
    • 4'-methoxy propiophenone
    • 4\'-Methoxypropiophenone
    • UNII-V4W5HX9O2D
    • ghl.PD_Mitscher_leg0.581
    • SCHEMBL459470
    • CHEMBL444556
    • DTXCID9033682
    • 1(4-methoxyphenyl)-1-oxopropane
    • CHEBI:167420
    • 1-(4-methoxvphenyl)-1-propanone
    • 4'-Methoxypropiophenone, >=99%
    • Propiophenone, 4'-methoxy-(8CI)
    • BCP14923
    • STL411987
    • AKOS000121514
    • CS-W020638
    • FM25350
    • PS-6126
    • M1719
    • NS00008667
    • EN300-16143
    • D91525
    • 4 inverted exclamation marka-Methoxypropiophenone
    • AB-131/40236160
    • Z53837063
    • F0001-0351
    • 1-(4-Methoxyphenyl)-1-propanone;4-Propanoylanisole;Ethyl p-methoxyphenyl ketone
    • 204-512-7

  • Applications

    4-Propanoylanisole (CAS 121-97-1) is an anisole-based aromatic ketone used primarily as a synthesis intermediate: in pharmaceuticals and agrochemicals to introduce the 4-methoxypropiophenone scaffold and convert it into amine, oxime, hydrazone, alcohol, or acid derivatives; in fragrances to generate anisic esters/acetals/ketals that provide warm, sweet, balsamic nuances; in materials and specialty chemicals as a building block for photoinitiators, functional monomers, and UV absorbers following transformations such as O-demethylation, alkylation, or sulfonylation; and in research and analysis as a model substrate for catalysis (hydrogenation, chemoselective carbonyl reduction), carbonyl photochemistry, and para-substituent effects, as well as a reference/system suitability standard for GC/LC–MS method development and validation, impurity control in manufacturing, and teaching of Friedel–Crafts reactions and keto–enol tautomerism.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 152.39
    methanol 176.51
    isopropanol 115.64
    water 1.6
    ethyl acetate 425.38
    n-propanol 136.5
    acetone 823.63
    n-butanol 128.46
    acetonitrile 583.71
    DMF 1417.12
    toluene 240.45
    isobutanol 99.24
    1,4-dioxane 778.2
    methyl acetate 467.07
    THF 851.06
    2-butanone 562.58
    n-pentanol 113.08
    sec-butanol 114.52
    n-hexane 35.78
    ethylene glycol 94.38
    NMP 1494.98
    cyclohexane 46.91
    DMSO 2102.52
    n-butyl acetate 341.42
    n-octanol 46.34
    chloroform 1711.59
    n-propyl acetate 316.26
    acetic acid 528.69
    dichloromethane 2074.44
    cyclohexanone 725.97
    propylene glycol 82.16
    isopropyl acetate 250.1
    DMAc 1163.29
    2-ethoxyethanol 391.01
    isopentanol 140.26
    n-heptane 10.96
    ethyl formate 281.73
    1,2-dichloroethane 1570.28
    n-hexanol 97.32
    2-methoxyethanol 523.8
    isobutyl acetate 167.22
    tetrachloromethane 274.81
    n-pentyl acetate 158.73
    transcutol 2411.22
    n-heptanol 45.02
    ethylbenzene 174.78
    MIBK 230.17
    2-propoxyethanol 311.57
    tert-butanol 252.22
    MTBE 367.91
    2-butoxyethanol 161.68
    propionic acid 283.37
    o-xylene 185.58
    formic acid 306.0
    diethyl ether 364.89
    m-xylene 150.79
    p-xylene 191.04
    chlorobenzene 635.72
    dimethyl carbonate 333.89
    n-octane 3.87
    formamide 759.94
    cyclopentanone 1023.12
    2-pentanone 393.16
    anisole 579.96
    cyclopentyl methyl ether 383.13
    gamma-butyrolactone 1243.16
    1-methoxy-2-propanol 348.73
    pyridine 785.6
    3-pentanone 416.19
    furfural 1300.96
    n-dodecane 3.33
    diethylene glycol 321.65
    diisopropyl ether 110.14
    tert-amyl alcohol 234.17
    acetylacetone 666.74
    n-hexadecane 4.14
    acetophenone 495.19
    methyl propionate 397.97
    isopentyl acetate 302.28
    trichloroethylene 2999.65
    n-nonanol 44.25
    cyclohexanol 145.06
    benzyl alcohol 289.34
    2-ethylhexanol 79.69
    isooctanol 42.65
    dipropyl ether 134.59
    1,2-dichlorobenzene 705.64
    ethyl lactate 153.8
    propylene carbonate 560.69
    n-methylformamide 595.64
    2-pentanol 96.89
    n-pentane 21.3
    1-propoxy-2-propanol 207.18
    1-methoxy-2-propyl acetate 398.66
    2-(2-methoxypropoxy) propanol 326.83
    mesitylene 103.89
    ε-caprolactone 582.04
    p-cymene 78.72
    epichlorohydrin 1707.86
    1,1,1-trichloroethane 1166.78
    2-aminoethanol 147.36
    morpholine-4-carbaldehyde 1282.66
    sulfolane 1911.59
    2,2,4-trimethylpentane 22.86
    2-methyltetrahydrofuran 591.1
    n-hexyl acetate 226.71
    isooctane 14.27
    2-(2-butoxyethoxy)ethanol 393.99
    sec-butyl acetate 208.19
    tert-butyl acetate 379.31
    decalin 41.22
    glycerin 191.23
    diglyme 971.06
    acrylic acid 396.39
    isopropyl myristate 88.82
    n-butyric acid 288.54
    acetyl acetate 408.04
    di(2-ethylhexyl) phthalate 108.42
    ethyl propionate 301.54
    nitromethane 1855.76
    1,2-diethoxyethane 530.01
    benzonitrile 432.9
    trioctyl phosphate 61.05
    1-bromopropane 474.31
    gamma-valerolactone 1184.83
    n-decanol 31.79
    triethyl phosphate 166.85
    4-methyl-2-pentanol 69.17
    propionitrile 328.72
    vinylene carbonate 567.0
    1,1,2-trichlorotrifluoroethane 1113.52
    DMS 449.71
    cumene 109.4
    2-octanol 30.91
    2-hexanone 324.65
    octyl acetate 104.6
    limonene 108.27
    1,2-dimethoxyethane 756.5
    ethyl orthosilicate 147.59
    tributyl phosphate 112.94
    diacetone alcohol 349.23
    N,N-dimethylaniline 322.04
    acrylonitrile 603.25
    aniline 367.78
    1,3-propanediol 183.94
    bromobenzene 729.34
    dibromomethane 1155.18
    1,1,2,2-tetrachloroethane 1979.09
    2-methyl-cyclohexyl acetate 216.93
    tetrabutyl urea 139.51
    diisobutyl methanol 56.5
    2-phenylethanol 220.1
    styrene 274.27
    dioctyl adipate 180.78
    dimethyl sulfate 780.85
    ethyl butyrate 248.66
    methyl lactate 232.22
    butyl lactate 145.66
    diethyl carbonate 222.21
    propanediol butyl ether 181.37
    triethyl orthoformate 190.45
    p-tert-butyltoluene 76.77
    methyl 4-tert-butylbenzoate 275.2
    morpholine 766.79
    tert-butylamine 162.25
    n-dodecanol 24.27
    dimethoxymethane 649.89
    ethylene carbonate 431.44
    cyrene 337.7
    2-ethoxyethyl acetate 353.82
    2-ethylhexyl acetate 255.22
    1,2,4-trichlorobenzene 872.23
    4-methylpyridine 692.81
    dibutyl ether 119.78
    2,6-dimethyl-4-heptanol 56.5
    DEF 617.97
    dimethyl isosorbide 599.45
    tetrachloroethylene 1250.82
    eugenol 281.08
    triacetin 376.79
    span 80 195.94
    1,4-butanediol 91.99
    1,1-dichloroethane 995.58
    2-methyl-1-pentanol 133.38
    methyl formate 484.38
    2-methyl-1-butanol 136.56
    n-decane 5.77
    butyronitrile 242.2
    3,7-dimethyl-1-octanol 71.02
    1-chlorooctane 45.35
    1-chlorotetradecane 18.18
    n-nonane 5.22
    undecane 4.24
    tert-butylcyclohexane 34.58
    cyclooctane 15.83
    cyclopentanol 163.33
    tetrahydropyran 491.42
    tert-amyl methyl ether 292.49
    2,5,8-trioxanonane 647.74
    1-hexene 117.26
    2-isopropoxyethanol 253.15
    2,2,2-trifluoroethanol 328.36
    methyl butyrate 376.17

    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
Chervil (France) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 0.1%
Seafennel (Turkey) 2 89997-98-8 Crithmum maritimum L., fam. Apiaceae (Umbelliferae) 0.2%