Acetophenone, 3-ethyl-

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  • Identifiers

    CAS number
    22699-70-3

    Molecular formula
    C10H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 74.56%
    Floral 74.37%
    Herbal 58.6%
    Anisic 46.13%
    Hay 46.05%
    Hawthorn 44.49%
    Balsamic 42.98%
    Powdery 42.66%
    Cherry 41.39%
    Coumarinic 40.33%

     

    Flavor
    Sweet 73.06%
    Woody 50.48%
    Spicy 49.24%
    Floral 41.89%
    Hawthorn 38.22%
    Herbal 37.33%
    Phenolic 37.17%
    Cherry 35.35%
    Mimosa 34.78%
    Vanilla 34.38%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.8 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point

    • 93.47 ˚C est.

  • Synonyms

    • 3-ETHYLACETOPHENONE
    • 22699-70-3
    • 1-(3-Ethylphenyl)ethan-1-one
    • m-Ethylacetophenone
    • Acetophenone, 3-ethyl-
    • DTXSID20177223
    • RefChem:552425
    • DTXCID2099714
    • 995-220-5
    • 1-(3-Ethylphenyl)ethanone
    • 3'-ETHYLACETOPHENONE
    • Ethanone,1-(3-ethylphenyl)-
    • MFCD00009660
    • Ethanone, 1-(3-ethylphenyl)-
    • 1-acetyl-3-ethylbenzene
    • methylacetophenon
    • m-Acetyl ethyl benzene
    • SCHEMBL334537
    • orb3030615
    • SCHEMBL2541572
    • SCHEMBL4324735
    • CHEBI:194773
    • BBL102901
    • CL9636
    • SBB064783
    • STL556710
    • AKOS006228241
    • FE67733
    • PS-5477
    • SY239126
    • DB-045969
    • CS-0207257
    • NS00010756
    • 3 inverted exclamation mark -Ethylacetophenone
    • EN300-1827755
    • 699E703
    • F226299
    • 22699-70-3

  • Applications

    Acetophenone, 3-ethyl- (CAS 22699-70-3) is used as a fragrance ingredient and synthetic building block in fragrance and cosmetics, functioning as a scent component or as a precursor to more complex aroma compounds. In industrial manufacturing, it is commonly employed as a building block for intermediates in pharmaceutical and agrochemical syntheses. It can also serve as a solvent or processing aid in coatings, inks, and adhesives. In the polymers/plastics arena, it may be used as a precursor for specialty monomers or functional plastic additives. These applications reflect the versatility of this aryl ketone with a 3-ethyl substituent, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 591.1
    methanol 400.15
    isopropanol 497.64
    water 1.2
    ethyl acetate 660.36
    n-propanol 528.42
    acetone 877.8
    n-butanol 463.6
    acetonitrile 1059.57
    DMF 1429.01
    toluene 460.5
    isobutanol 410.33
    1,4-dioxane 1266.85
    methyl acetate 815.49
    THF 1029.28
    2-butanone 885.22
    n-pentanol 285.09
    sec-butanol 452.18
    n-hexane 77.95
    ethylene glycol 142.84
    NMP 897.77
    cyclohexane 149.46
    DMSO 979.77
    n-butyl acetate 586.51
    n-octanol 246.63
    chloroform 2577.1
    n-propyl acetate 349.34
    acetic acid 321.48
    dichloromethane 2944.05
    cyclohexanone 1137.48
    propylene glycol 182.16
    isopropyl acetate 289.97
    DMAc 864.65
    2-ethoxyethanol 319.1
    isopentanol 342.04
    n-heptane 91.53
    ethyl formate 586.52
    1,2-dichloroethane 1545.94
    n-hexanol 469.24
    2-methoxyethanol 579.22
    isobutyl acetate 203.69
    tetrachloromethane 359.26
    n-pentyl acetate 265.62
    transcutol 862.72
    n-heptanol 202.92
    ethylbenzene 282.03
    MIBK 292.7
    2-propoxyethanol 516.13
    tert-butanol 504.11
    MTBE 426.06
    2-butoxyethanol 280.09
    propionic acid 443.96
    o-xylene 304.9
    formic acid 83.37
    diethyl ether 554.19
    m-xylene 295.74
    p-xylene 322.09
    chlorobenzene 621.07
    dimethyl carbonate 251.1
    n-octane 45.28
    formamide 217.72
    cyclopentanone 1098.12
    2-pentanone 610.33
    anisole 475.99
    cyclopentyl methyl ether 471.2
    gamma-butyrolactone 1135.19
    1-methoxy-2-propanol 444.03
    pyridine 1049.25
    3-pentanone 511.89
    furfural 916.52
    n-dodecane 40.37
    diethylene glycol 341.0
    diisopropyl ether 134.35
    tert-amyl alcohol 425.99
    acetylacetone 504.14
    n-hexadecane 46.32
    acetophenone 391.65
    methyl propionate 569.45
    isopentyl acetate 418.22
    trichloroethylene 2461.16
    n-nonanol 201.87
    cyclohexanol 435.82
    benzyl alcohol 336.3
    2-ethylhexanol 279.06
    isooctanol 157.84
    dipropyl ether 345.14
    1,2-dichlorobenzene 542.77
    ethyl lactate 167.82
    propylene carbonate 636.53
    n-methylformamide 625.63
    2-pentanol 289.11
    n-pentane 79.16
    1-propoxy-2-propanol 382.01
    1-methoxy-2-propyl acetate 386.86
    2-(2-methoxypropoxy) propanol 294.22
    mesitylene 174.22
    ε-caprolactone 808.97
    p-cymene 178.26
    epichlorohydrin 1364.13
    1,1,1-trichloroethane 1185.6
    2-aminoethanol 252.12
    morpholine-4-carbaldehyde 881.98
    sulfolane 982.65
    2,2,4-trimethylpentane 40.52
    2-methyltetrahydrofuran 771.5
    n-hexyl acetate 421.38
    isooctane 32.89
    2-(2-butoxyethoxy)ethanol 379.03
    sec-butyl acetate 220.48
    tert-butyl acetate 276.93
    decalin 76.27
    glycerin 197.77
    diglyme 684.43
    acrylic acid 357.08
    isopropyl myristate 176.63
    n-butyric acid 515.4
    acetyl acetate 327.76
    di(2-ethylhexyl) phthalate 151.22
    ethyl propionate 327.91
    nitromethane 795.96
    1,2-diethoxyethane 455.75
    benzonitrile 575.63
    trioctyl phosphate 120.37
    1-bromopropane 878.78
    gamma-valerolactone 1128.1
    n-decanol 159.55
    triethyl phosphate 168.9
    4-methyl-2-pentanol 152.21
    propionitrile 818.96
    vinylene carbonate 652.98
    1,1,2-trichlorotrifluoroethane 557.34
    DMS 358.68
    cumene 186.81
    2-octanol 161.44
    2-hexanone 394.31
    octyl acetate 223.96
    limonene 264.14
    1,2-dimethoxyethane 685.56
    ethyl orthosilicate 153.72
    tributyl phosphate 144.05
    diacetone alcohol 322.75
    N,N-dimethylaniline 304.79
    acrylonitrile 934.8
    aniline 447.3
    1,3-propanediol 319.79
    bromobenzene 719.74
    dibromomethane 1829.25
    1,1,2,2-tetrachloroethane 1605.46
    2-methyl-cyclohexyl acetate 258.62
    tetrabutyl urea 200.29
    diisobutyl methanol 148.72
    2-phenylethanol 358.2
    styrene 348.32
    dioctyl adipate 229.89
    dimethyl sulfate 356.27
    ethyl butyrate 381.37
    methyl lactate 215.23
    butyl lactate 195.53
    diethyl carbonate 270.87
    propanediol butyl ether 247.53
    triethyl orthoformate 217.01
    p-tert-butyltoluene 160.93
    methyl 4-tert-butylbenzoate 312.42
    morpholine 1192.14
    tert-butylamine 341.76
    n-dodecanol 130.03
    dimethoxymethane 640.67
    ethylene carbonate 544.9
    cyrene 262.04
    2-ethoxyethyl acetate 357.49
    2-ethylhexyl acetate 334.15
    1,2,4-trichlorobenzene 575.7
    4-methylpyridine 968.08
    dibutyl ether 287.04
    2,6-dimethyl-4-heptanol 148.72
    DEF 656.77
    dimethyl isosorbide 451.54
    tetrachloroethylene 927.04
    eugenol 290.01
    triacetin 338.99
    span 80 256.39
    1,4-butanediol 145.37
    1,1-dichloroethane 1523.7
    2-methyl-1-pentanol 263.13
    methyl formate 505.83
    2-methyl-1-butanol 362.73
    n-decane 63.08
    butyronitrile 727.02
    3,7-dimethyl-1-octanol 203.83
    1-chlorooctane 218.01
    1-chlorotetradecane 95.18
    n-nonane 64.78
    undecane 49.53
    tert-butylcyclohexane 71.14
    cyclooctane 48.86
    cyclopentanol 441.49
    tetrahydropyran 976.67
    tert-amyl methyl ether 304.45
    2,5,8-trioxanonane 472.97
    1-hexene 282.26
    2-isopropoxyethanol 243.22
    2,2,2-trifluoroethanol 140.15
    methyl butyrate 466.63

    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