Ethone

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  • Identifiers

    CAS number
    104-27-8

    Molecular formula
    C12H14O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 78.07%
    Sweet 70.66%
    Caramellic 54.13%
    Vanilla 50.69%
    Spicy 49.67%
    Floral 48.23%
    Balsamic 44.53%
    Berry 43.01%
    Cherry 42.59%
    Powdery 40.04%

     

    Flavor
    Sweet 55.49%
    Floral 47.24%
    Spicy 38.33%
    Balsam 37.87%
    Cinnamon 36.31%
    Spice 29.71%
    Honey 27.14%
    Vanilla 27.1%
    Cherry 26.75%
    Chocolate 26.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.67 (neutral)

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 61.3 - 61.9 °C

    Boiling point

    • 278.00 °C. @ 760.00 mm Hg

    Flash point

    • 124.13 ˚C est.

    Solubility expt.

    • insoluble in water, soluble in organic solvents, oils
    • very soluble (in ethanol)

  • Synonyms

    • 104-27-8
    • 1-(4-Methoxyphenyl)pent-1-en-3-one
    • alpha-Methylanisalacetone
    • 1-(4-Methoxyphenyl)-1-penten-3-one
    • 1-Penten-3-one, 1-(4-methoxyphenyl)-
    • Ethyl p-methoxystyryl ketone
    • FEMA No. 2673
    • (E)-1-(4-methoxyphenyl)pent-1-en-3-one
    • 1-(p-METHOXYPHENYL)-1-PENTEN-3-ONE
    • 1-Penten-3-one, 1-(p-methoxyphenyl)-
    • alpha-Methylanisylideneacetone
    • Methoxystyryl ethyl ketone, p-
    • 1-(4-Methoxyphenyl)-1-pentene-3-one
    • 82297-64-1
    • U0ZZO1ACOR
    • EINECS 203-190-5
    • NSC 133448
    • BRN 3197137
    • 1-Penten-3-one, 1-(4-methoxyphenyl)-, (1E)-
    • AI3-30922
    • 1-p-Methoxyphenylpent-1-en-3-one
    • ETHONE [FCC]
    • NSC-133448
    • 4-08-00-00911 (Beilstein Handbook Reference)
    • .ALPHA.-METHYLANISYLIDENE ACETONE
    • 1-Penten-3-one, 1-(4-methoxyphenyl)-, (E)-
    • 1-(P-METHOXYPHENYL)-1-PENTEN-3-ONE [FHFI]
    • UNII-U0ZZO1ACOR
    • DTXSID4047412
    • 1-Penten-3-one, 1-(p-methoxyphenyl)- (6CI,7CI,8CI); 1-p-Methoxyphenylpent-1-en-3-one; Ethyl p-methoxystyryl ketone; NSC 133448; a-Methylanisalacetone
    • NSC133448
    • SCHEMBL856866
    • DTXCID2027412
    • FEMA 2673
    • DTXSID00231670
    • SLDQOBRACOQXGE-QPJJXVBHSA-N
    • Tox21_300928
    • MFCD00027023
    • ALPHA-METHYLANISYLIDENE ACETONE
    • AKOS027379141
    • FM71213
    • NCGC00254830-01
    • CAS-104-27-8
    • DS-12988
    • (1E)-1-(4-methoxyphenyl)pent-1-en-3-one
    • CS-0186259
    • (1E)-1-(4-Methoxyphenyl)-1-penten-3-one
    • 1-(4-Methoxyphenyl)-1-pentene-3-one;Ethone
    • 1-Penten-3-one, 1-(4-methoxyphenyl)-(9CI)
    • C71174
    • Q27290534
    • 1-(4-Methoxyphenyl)-1-penten-3-one 100 microg/mL in Acetonitrile
    • 1-Penten-3-one, 1-(p-methoxyphenyl)- (6CI,7CI,8CI); 1-p-Methoxyphenylpent-1-en-3-one; Ethyl p-methoxystyryl ketone; NSC 133448; ?-Methylanisalacetone

  • Applications

    Ethone, CAS 104-27-8, is used primarily as an organic solvent and as a chemical intermediate in various industrial syntheses. In fragrance and cosmetics, it may serve as a fragrance ingredient and as a carrier solvent for aroma compounds; in coatings, inks, and cleaning formulations, it functions as a thinning or processing solvent; in the polymer and plastics sector, it can act as a processing solvent or precursor for aromatic polymer-related compounds; in organic synthesis, it is employed as a generic intermediate for the preparation of other compounds; and, where permitted by regulation, it may be evaluated as an intermediate for pharmaceutical synthesis. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 404.01
    methanol 449.78
    isopropanol 251.11
    water 0.63
    ethyl acetate 761.31
    n-propanol 263.97
    acetone 150.88
    n-butanol 213.04
    acetonitrile 437.35
    DMF 135.22
    toluene 196.48
    isobutanol 141.86
    1,4-dioxane 1158.76
    methyl acetate 473.98
    THF 410.52
    2-butanone 254.27
    n-pentanol 162.54
    sec-butanol 194.21
    n-hexane 8.29
    ethylene glycol 93.01
    NMP 74.83
    cyclohexane 22.34
    DMSO 288.08
    n-butyl acetate 199.15
    n-octanol 44.57
    chloroform 1138.84
    n-propyl acetate 221.02
    acetic acid 315.31
    dichloromethane 1210.37
    cyclohexanone 215.29
    propylene glycol 145.78
    isopropyl acetate 228.21
    DMAc 266.92
    2-ethoxyethanol 406.49
    isopentanol 155.29
    n-heptane 8.93
    ethyl formate 207.2
    1,2-dichloroethane 610.19
    n-hexanol 116.08
    2-methoxyethanol 538.65
    isobutyl acetate 120.39
    tetrachloromethane 82.4
    n-pentyl acetate 79.14
    transcutol 1110.02
    n-heptanol 45.48
    ethylbenzene 97.93
    MIBK 102.46
    2-propoxyethanol 264.06
    tert-butanol 340.92
    MTBE 252.25
    2-butoxyethanol 123.29
    propionic acid 213.04
    o-xylene 99.32
    formic acid 127.61
    diethyl ether 405.23
    m-xylene 89.11
    p-xylene 109.05
    chlorobenzene 206.75
    dimethyl carbonate 120.32
    n-octane 5.16
    formamide 270.12
    cyclopentanone 158.5
    2-pentanone 160.67
    anisole 267.43
    cyclopentyl methyl ether 144.41
    gamma-butyrolactone 258.88
    1-methoxy-2-propanol 299.84
    pyridine 591.67
    3-pentanone 152.59
    furfural 345.87
    n-dodecane 5.95
    diethylene glycol 248.89
    diisopropyl ether 61.27
    tert-amyl alcohol 220.06
    acetylacetone 248.85
    n-hexadecane 6.8
    acetophenone 177.93
    methyl propionate 291.71
    isopentyl acetate 166.76
    trichloroethylene 1045.68
    n-nonanol 46.69
    cyclohexanol 151.53
    benzyl alcohol 192.66
    2-ethylhexanol 67.67
    isooctanol 39.71
    dipropyl ether 102.59
    1,2-dichlorobenzene 175.89
    ethyl lactate 87.1
    propylene carbonate 175.29
    n-methylformamide 138.98
    2-pentanol 126.28
    n-pentane 6.9
    1-propoxy-2-propanol 158.6
    1-methoxy-2-propyl acetate 228.16
    2-(2-methoxypropoxy) propanol 175.06
    mesitylene 50.49
    ε-caprolactone 240.68
    p-cymene 43.51
    epichlorohydrin 539.2
    1,1,1-trichloroethane 427.6
    2-aminoethanol 177.07
    morpholine-4-carbaldehyde 321.6
    sulfolane 198.93
    2,2,4-trimethylpentane 9.17
    2-methyltetrahydrofuran 294.29
    n-hexyl acetate 109.19
    isooctane 6.29
    2-(2-butoxyethoxy)ethanol 227.6
    sec-butyl acetate 151.48
    tert-butyl acetate 189.6
    decalin 17.69
    glycerin 182.97
    diglyme 481.45
    acrylic acid 167.21
    isopropyl myristate 52.9
    n-butyric acid 285.28
    acetyl acetate 334.6
    di(2-ethylhexyl) phthalate 55.31
    ethyl propionate 201.23
    nitromethane 472.1
    1,2-diethoxyethane 371.04
    benzonitrile 200.85
    trioctyl phosphate 31.23
    1-bromopropane 263.6
    gamma-valerolactone 328.46
    n-decanol 37.13
    triethyl phosphate 83.64
    4-methyl-2-pentanol 60.16
    propionitrile 287.8
    vinylene carbonate 203.52
    1,1,2-trichlorotrifluoroethane 336.52
    DMS 172.44
    cumene 56.59
    2-octanol 30.69
    2-hexanone 137.34
    octyl acetate 60.02
    limonene 55.58
    1,2-dimethoxyethane 588.38
    ethyl orthosilicate 84.38
    tributyl phosphate 48.68
    diacetone alcohol 175.9
    N,N-dimethylaniline 132.5
    acrylonitrile 332.82
    aniline 244.13
    1,3-propanediol 271.54
    bromobenzene 226.18
    dibromomethane 658.97
    1,1,2,2-tetrachloroethane 729.53
    2-methyl-cyclohexyl acetate 109.1
    tetrabutyl urea 58.86
    diisobutyl methanol 46.72
    2-phenylethanol 148.4
    styrene 147.65
    dioctyl adipate 90.09
    dimethyl sulfate 128.32
    ethyl butyrate 170.04
    methyl lactate 111.11
    butyl lactate 64.05
    diethyl carbonate 145.07
    propanediol butyl ether 106.06
    triethyl orthoformate 124.71
    p-tert-butyltoluene 42.44
    methyl 4-tert-butylbenzoate 116.02
    morpholine 904.43
    tert-butylamine 162.74
    n-dodecanol 30.93
    dimethoxymethane 270.63
    ethylene carbonate 179.56
    cyrene 126.4
    2-ethoxyethyl acetate 188.01
    2-ethylhexyl acetate 128.91
    1,2,4-trichlorobenzene 212.99
    4-methylpyridine 351.48
    dibutyl ether 91.66
    2,6-dimethyl-4-heptanol 46.72
    DEF 204.86
    dimethyl isosorbide 252.01
    tetrachloroethylene 431.48
    eugenol 128.96
    triacetin 162.88
    span 80 109.26
    1,4-butanediol 101.49
    1,1-dichloroethane 517.08
    2-methyl-1-pentanol 130.03
    methyl formate 114.0
    2-methyl-1-butanol 144.44
    n-decane 8.79
    butyronitrile 224.13
    3,7-dimethyl-1-octanol 58.47
    1-chlorooctane 37.5
    1-chlorotetradecane 19.11
    n-nonane 7.51
    undecane 7.05
    tert-butylcyclohexane 16.63
    cyclooctane 7.04
    cyclopentanol 104.74
    tetrahydropyran 541.42
    tert-amyl methyl ether 152.53
    2,5,8-trioxanonane 365.89
    1-hexene 54.92
    2-isopropoxyethanol 234.15
    2,2,2-trifluoroethanol 100.48
    methyl butyrate 225.72

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
α-Methyl anisylidene acetone should not be used as a fragrance ingredient.