3-Methylacetophenone

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  • Identifiers

    CAS number
    585-74-0

    Molecular formula
    C9H10O

    SMILES
    CC1=CC(=CC=C1)C(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 90.54%
    Floral 88.28%
    Cherry 66.26%
    Hawthorn 63.79%
    Powdery 60.39%
    Coumarinic 57.8%
    Almond 56.61%
    Hay 54.49%
    Anisic 48.47%
    Vanilla 46.45%

     

    Flavor
    Sweet 88.29%
    Hawthorn 54.01%
    Cherry 53.82%
    Woody 46.73%
    Mimosa 46.71%
    Phenolic 45.74%
    Floral 44.73%
    Powdery 42.93%
    Vanilla 41.7%
    Almond 40.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.47 (neutral)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point

    • 80.35 ˚C est.

  • Synonyms

    • 3'-Methylacetophenone
    • 585-74-0
    • 3-METHYLACETOPHENONE
    • Ethanone, 1-(3-methylphenyl)-
    • Acetophenone, m-methyl-
    • Acetophenone, 3'-methyl-
    • V3KL17Y68N
    • EINECS 209-561-8
    • NSC 46632
    • NSC-46632
    • DTXSID5074717
    • mMethylacetophenone
    • 3'methylacetophenone
    • Acetophenone, mmethyl
    • Acetophenone, 3'methyl
    • RefChem:504117
    • Ethanone, 1(3methylphenyl)
    • Acetophenone, 3'methyl (8CI)
    • DTXCID0042402
    • Acetophenone, 3'-methyl-(8CI)
    • Ethanone, 1(3methylphenyl) (9CI)
    • Ethanone, 1-(3-methylphenyl)-(9CI)
    • 209-561-8
    • InChI=1/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H
    • 1-(m-Tolyl)ethanone
    • m-Methylacetophenone
    • 1-(3-Methylphenyl)ethanone
    • 1-(3-methylphenyl)ethan-1-one
    • MFCD00008742
    • 1-m-Tolyl-ethanone
    • Methyl m-tolyl ketone
    • 1-acetyl-3-methylbenzene
    • 1-[3-methylphenyl]ethanone
    • 3-Acetyltoluene
    • 1-(3-methylphenyl)-Ethanone
    • UNII-V3KL17Y68N
    • 1-m-tolylethanone
    • 3'-methyl acetophenone
    • 3\'-Methylacetophenone
    • 3 inverted exclamation marka-Methylacetophenone
    • 1-(M-Tolyl)Ethan-1-One
    • SCHEMBL76212
    • 3'-Methylacetophenone, 98%
    • 1-(3-Methylphenyl)ethanone #
    • orb3027173
    • SCHEMBL2092812
    • SCHEMBL2539183
    • SCHEMBL4064595
    • SCHEMBL4071910
    • SCHEMBL11336223
    • SCHEMBL29639739
    • CHEBI:178621
    • BB_SC-12927
    • NSC46632
    • SBB061772
    • STL183829
    • AKOS009031466
    • AC-3644
    • CS-W013375
    • EBC-618201
    • FM33932
    • SY049547
    • DB-053228
    • M0191
    • NS00033963
    • ST51047757
    • EN300-20807
    • 3 inverted exclamation mark -Methylacetophenone
    • F791263
    • Q27291491
    • F0001-1527
    • Z104482920
    • 585-74-0

  • Applications

    3-Methylacetophenone (CAS 585-74-0) is primarily used as a fragrance ingredient and as an intermediate in the synthesis of other aromatic compounds, supporting perfumery and cosmetic product development. It is also employed as a processing intermediate in industrial manufacturing and can function as an organic solvent or reaction medium in certain synthetic steps. Additionally, it may be used as a precursor for specialty chemicals and fragrance formulations, with usage constrained by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1034.66
    methanol 1146.25
    isopropanol 899.82
    water 6.83
    ethyl acetate 1095.52
    n-propanol 924.98
    acetone 1414.32
    n-butanol 787.67
    acetonitrile 1113.39
    DMF 1834.63
    toluene 430.91
    isobutanol 683.88
    1,4-dioxane 1852.69
    methyl acetate 1220.7
    THF 1568.12
    2-butanone 1242.05
    n-pentanol 500.93
    sec-butanol 765.09
    n-hexane 194.03
    ethylene glycol 339.26
    NMP 946.19
    cyclohexane 130.08
    DMSO 1109.8
    n-butyl acetate 445.62
    n-octanol 381.57
    chloroform 1970.13
    n-propyl acetate 447.54
    acetic acid 427.11
    dichloromethane 1742.09
    cyclohexanone 1026.18
    propylene glycol 402.88
    isopropyl acetate 494.17
    DMAc 1092.79
    2-ethoxyethanol 748.99
    isopentanol 560.91
    n-heptane 92.92
    ethyl formate 618.98
    1,2-dichloroethane 1163.28
    n-hexanol 672.09
    2-methoxyethanol 1262.02
    isobutyl acetate 288.51
    tetrachloromethane 314.26
    n-pentyl acetate 301.5
    transcutol 1306.63
    n-heptanol 313.85
    ethylbenzene 308.33
    MIBK 488.86
    2-propoxyethanol 988.47
    tert-butanol 833.3
    MTBE 786.58
    2-butoxyethanol 494.12
    propionic acid 625.26
    o-xylene 295.27
    formic acid 176.45
    diethyl ether 1028.14
    m-xylene 320.19
    p-xylene 347.92
    chlorobenzene 481.42
    dimethyl carbonate 378.38
    n-octane 60.09
    formamide 314.84
    cyclopentanone 1214.91
    2-pentanone 895.58
    anisole 656.5
    cyclopentyl methyl ether 799.57
    gamma-butyrolactone 1166.44
    1-methoxy-2-propanol 1020.02
    pyridine 812.62
    3-pentanone 710.41
    furfural 861.84
    n-dodecane 50.82
    diethylene glycol 711.41
    diisopropyl ether 244.42
    tert-amyl alcohol 669.72
    acetylacetone 817.8
    n-hexadecane 56.83
    acetophenone 455.03
    methyl propionate 889.63
    isopentyl acetate 368.72
    trichloroethylene 1628.55
    n-nonanol 299.79
    cyclohexanol 540.28
    benzyl alcohol 402.69
    2-ethylhexanol 333.54
    isooctanol 243.47
    dipropyl ether 396.36
    1,2-dichlorobenzene 436.21
    ethyl lactate 251.69
    propylene carbonate 599.51
    n-methylformamide 859.26
    2-pentanol 544.32
    n-pentane 127.98
    1-propoxy-2-propanol 563.05
    1-methoxy-2-propyl acetate 452.76
    2-(2-methoxypropoxy) propanol 368.83
    mesitylene 191.76
    ε-caprolactone 824.97
    p-cymene 145.47
    epichlorohydrin 1515.25
    1,1,1-trichloroethane 984.68
    2-aminoethanol 553.96
    morpholine-4-carbaldehyde 1221.55
    sulfolane 1052.94
    2,2,4-trimethylpentane 63.04
    2-methyltetrahydrofuran 1140.78
    n-hexyl acetate 539.96
    isooctane 55.77
    2-(2-butoxyethoxy)ethanol 548.41
    sec-butyl acetate 322.95
    tert-butyl acetate 464.04
    decalin 101.22
    glycerin 450.0
    diglyme 980.61
    acrylic acid 474.47
    isopropyl myristate 198.1
    n-butyric acid 682.86
    acetyl acetate 463.95
    di(2-ethylhexyl) phthalate 151.24
    ethyl propionate 465.79
    nitromethane 1053.26
    1,2-diethoxyethane 544.6
    benzonitrile 463.76
    trioctyl phosphate 132.04
    1-bromopropane 788.47
    gamma-valerolactone 1388.28
    n-decanol 229.22
    triethyl phosphate 154.86
    4-methyl-2-pentanol 288.61
    propionitrile 804.48
    vinylene carbonate 560.54
    1,1,2-trichlorotrifluoroethane 681.34
    DMS 420.88
    cumene 216.06
    2-octanol 245.96
    2-hexanone 577.79
    octyl acetate 267.98
    limonene 211.15
    1,2-dimethoxyethane 1117.83
    ethyl orthosilicate 150.0
    tributyl phosphate 143.9
    diacetone alcohol 557.86
    N,N-dimethylaniline 393.42
    acrylonitrile 928.49
    aniline 475.47
    1,3-propanediol 694.6
    bromobenzene 519.55
    dibromomethane 1158.44
    1,1,2,2-tetrachloroethane 1315.26
    2-methyl-cyclohexyl acetate 241.44
    tetrabutyl urea 190.06
    diisobutyl methanol 176.6
    2-phenylethanol 395.89
    styrene 370.8
    dioctyl adipate 226.23
    dimethyl sulfate 539.27
    ethyl butyrate 318.46
    methyl lactate 408.79
    butyl lactate 226.92
    diethyl carbonate 219.66
    propanediol butyl ether 437.15
    triethyl orthoformate 204.16
    p-tert-butyltoluene 145.3
    methyl 4-tert-butylbenzoate 334.68
    morpholine 1690.45
    tert-butylamine 533.45
    n-dodecanol 181.49
    dimethoxymethane 1107.71
    ethylene carbonate 481.15
    cyrene 322.89
    2-ethoxyethyl acetate 401.29
    2-ethylhexyl acetate 278.52
    1,2,4-trichlorobenzene 474.93
    4-methylpyridine 869.68
    dibutyl ether 381.65
    2,6-dimethyl-4-heptanol 176.6
    DEF 870.96
    dimethyl isosorbide 497.14
    tetrachloroethylene 781.57
    eugenol 360.94
    triacetin 358.9
    span 80 315.95
    1,4-butanediol 316.36
    1,1-dichloroethane 1290.13
    2-methyl-1-pentanol 409.5
    methyl formate 693.44
    2-methyl-1-butanol 583.74
    n-decane 82.22
    butyronitrile 746.13
    3,7-dimethyl-1-octanol 279.71
    1-chlorooctane 286.56
    1-chlorotetradecane 114.14
    n-nonane 88.36
    undecane 62.34
    tert-butylcyclohexane 108.14
    cyclooctane 61.65
    cyclopentanol 589.65
    tetrahydropyran 1302.36
    tert-amyl methyl ether 565.23
    2,5,8-trioxanonane 580.48
    1-hexene 526.64
    2-isopropoxyethanol 539.06
    2,2,2-trifluoroethanol 225.8
    methyl butyrate 578.03

    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