3,4-Dimethylacetophenone

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  • Identifiers

    CAS number
    3637-01-2

    Molecular formula
    C10H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 84.15%
    Sweet 73.4%
    Hay 49.6%
    Hawthorn 49.41%
    Powdery 48.76%
    Coumarinic 44.39%
    Herbal 42.8%
    Cherry 42.18%
    Neroli 39.63%
    Phenolic 38.98%

     

    Flavor
    Sweet 71.12%
    Woody 51.16%
    Phenolic 44.02%
    Floral 41.29%
    Hawthorn 38.54%
    Powdery 38.39%
    Mimosa 37.79%
    Tobacco 34.09%
    Vanilla 32.37%
    Spicy 31.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.97 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point

    • 92.05 ˚C est.

  • Synonyms

    • 3',4'-Dimethylacetophenone
    • 3637-01-2
    • 1-(3,4-Dimethylphenyl)ethanone
    • 3,4-Dimethylacetophenone
    • Ethanone, 1-(3,4-dimethylphenyl)-
    • 1-(3,4-Dimethylphenyl)ethan-1-one
    • PC1L145T5V
    • Acetophenone, 3',4'-dimethyl-
    • DTXSID0063109
    • EINECS 222-859-2
    • METHYL 3,4-DIMETHYLPHENYL KETONE
    • RefChem:486347
    • DTXCID3039165
    • InChI=1/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H
    • MFCD00008743
    • 1-acetyl-3,4-dimethylbenzene
    • 1-(3,4-dimethyl-phenyl)-ethanone
    • 3 inverted exclamation mark ,4 inverted exclamation mark -Dimethylacetophenone
    • 34Dimethylacetophenone
    • 3.4-Dimethylacetophenon
    • 3,4-dimethyl-acetophenone
    • UNII-PC1L145T5V
    • (3,4-Dimethylphenyl)ethanone
    • SCHEMBL110321
    • 3\',4\'-Dimethylacetophenone
    • CHEMBL549898
    • F9995-0151
    • orb3023404
    • SCHEMBL4219229
    • SCHEMBL29787835
    • 3/'.4/'-Dimethyl acetophenone
    • 1-(3,4-DimethylphenyI)ethanone
    • 3',4'-Dimethylacetophenone, 98%
    • ALBB-004401
    • BB_SC-12944
    • 1-(3,4-Dimethylphenyl)ethanone #
    • SBB063673
    • STK500750
    • AKOS000119377
    • 3,4-(CH3)2C6H3-COCH3
    • CS-W014398
    • FD39726
    • AC-19782
    • AS-14424
    • BP-12707
    • SY061591
    • NS00048345
    • ST50824129
    • EN300-20237
    • C13333
    • A823216
    • F243251
    • Q27286469
    • Z104477440
    • 3 inverted exclamation marka,4 inverted exclamation marka-Dimethylacetophenone
    • 3637-01-2

  • Applications

    3,4-Dimethylacetophenone (CAS 3637-01-2) is commonly used as an organic synthesis intermediate with real-world applications across several sectors: as an odorant and fragrance ingredient for perfumes and cosmetics; as a precursor to aroma-active compounds and certain pharmaceutical derivatives; as a building block for polymers and resin components used in coatings and inks; as a solvent or co-solvent in laboratory and industrial syntheses; and as a fragrance component in household and cleaning products, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 715.01
    methanol 469.67
    isopropanol 730.08
    water 4.98
    ethyl acetate 1138.1
    n-propanol 701.32
    acetone 1317.55
    n-butanol 579.0
    acetonitrile 1815.93
    DMF 1731.92
    toluene 571.91
    isobutanol 518.36
    1,4-dioxane 2024.64
    methyl acetate 1346.97
    THF 1543.23
    2-butanone 1284.63
    n-pentanol 342.32
    sec-butanol 653.73
    n-hexane 106.4
    ethylene glycol 143.98
    NMP 921.01
    cyclohexane 168.38
    DMSO 729.37
    n-butyl acetate 589.06
    n-octanol 275.53
    chloroform 2668.36
    n-propyl acetate 449.58
    acetic acid 405.99
    dichloromethane 2718.54
    cyclohexanone 1232.25
    propylene glycol 228.0
    isopropyl acetate 465.68
    DMAc 1081.49
    2-ethoxyethanol 427.69
    isopentanol 412.02
    n-heptane 107.38
    ethyl formate 797.92
    1,2-dichloroethane 1376.52
    n-hexanol 514.04
    2-methoxyethanol 791.89
    isobutyl acetate 248.57
    tetrachloromethane 484.36
    n-pentyl acetate 312.36
    transcutol 830.57
    n-heptanol 240.5
    ethylbenzene 352.96
    MIBK 363.37
    2-propoxyethanol 663.88
    tert-butanol 771.5
    MTBE 704.57
    2-butoxyethanol 352.44
    propionic acid 603.28
    o-xylene 367.69
    formic acid 130.18
    diethyl ether 924.61
    m-xylene 343.95
    p-xylene 486.04
    chlorobenzene 650.21
    dimethyl carbonate 361.14
    n-octane 54.58
    formamide 390.25
    cyclopentanone 1390.96
    2-pentanone 822.7
    anisole 638.91
    cyclopentyl methyl ether 616.39
    gamma-butyrolactone 1446.64
    1-methoxy-2-propanol 618.59
    pyridine 1256.22
    3-pentanone 719.0
    furfural 1048.01
    n-dodecane 43.04
    diethylene glycol 353.76
    diisopropyl ether 198.3
    tert-amyl alcohol 620.78
    acetylacetone 723.03
    n-hexadecane 49.17
    acetophenone 474.58
    methyl propionate 873.35
    isopentyl acetate 422.13
    trichloroethylene 2264.9
    n-nonanol 232.5
    cyclohexanol 487.78
    benzyl alcohol 399.81
    2-ethylhexanol 314.81
    isooctanol 185.02
    dipropyl ether 434.93
    1,2-dichlorobenzene 517.69
    ethyl lactate 188.29
    propylene carbonate 706.54
    n-methylformamide 925.86
    2-pentanol 390.44
    n-pentane 99.05
    1-propoxy-2-propanol 457.82
    1-methoxy-2-propyl acetate 462.09
    2-(2-methoxypropoxy) propanol 307.86
    mesitylene 190.18
    ε-caprolactone 918.64
    p-cymene 198.36
    epichlorohydrin 1707.61
    1,1,1-trichloroethane 1420.85
    2-aminoethanol 322.18
    morpholine-4-carbaldehyde 1124.89
    sulfolane 928.15
    2,2,4-trimethylpentane 50.89
    2-methyltetrahydrofuran 1209.28
    n-hexyl acetate 468.15
    isooctane 36.93
    2-(2-butoxyethoxy)ethanol 384.53
    sec-butyl acetate 291.88
    tert-butyl acetate 391.14
    decalin 90.99
    glycerin 223.94
    diglyme 777.38
    acrylic acid 428.13
    isopropyl myristate 195.21
    n-butyric acid 625.96
    acetyl acetate 520.29
    di(2-ethylhexyl) phthalate 161.22
    ethyl propionate 452.04
    nitromethane 1278.56
    1,2-diethoxyethane 539.21
    benzonitrile 575.52
    trioctyl phosphate 124.39
    1-bromopropane 857.7
    gamma-valerolactone 1606.85
    n-decanol 179.95
    triethyl phosphate 197.87
    4-methyl-2-pentanol 192.85
    propionitrile 1211.59
    vinylene carbonate 750.79
    1,1,2-trichlorotrifluoroethane 603.57
    DMS 392.73
    cumene 225.14
    2-octanol 184.17
    2-hexanone 498.51
    octyl acetate 257.67
    limonene 274.06
    1,2-dimethoxyethane 912.7
    ethyl orthosilicate 180.58
    tributyl phosphate 145.66
    diacetone alcohol 411.96
    N,N-dimethylaniline 398.1
    acrylonitrile 1314.2
    aniline 561.15
    1,3-propanediol 425.83
    bromobenzene 687.13
    dibromomethane 1686.84
    1,1,2,2-tetrachloroethane 1502.96
    2-methyl-cyclohexyl acetate 298.45
    tetrabutyl urea 188.84
    diisobutyl methanol 162.07
    2-phenylethanol 407.18
    styrene 414.72
    dioctyl adipate 248.8
    dimethyl sulfate 448.49
    ethyl butyrate 434.32
    methyl lactate 281.44
    butyl lactate 198.01
    diethyl carbonate 311.13
    propanediol butyl ether 261.13
    triethyl orthoformate 262.44
    p-tert-butyltoluene 189.12
    methyl 4-tert-butylbenzoate 338.33
    morpholine 1790.97
    tert-butylamine 494.91
    n-dodecanol 142.57
    dimethoxymethane 884.53
    ethylene carbonate 637.12
    cyrene 297.76
    2-ethoxyethyl acetate 429.25
    2-ethylhexyl acetate 359.62
    1,2,4-trichlorobenzene 576.46
    4-methylpyridine 1153.7
    dibutyl ether 345.06
    2,6-dimethyl-4-heptanol 162.07
    DEF 786.26
    dimethyl isosorbide 537.61
    tetrachloroethylene 928.64
    eugenol 315.94
    triacetin 370.43
    span 80 266.64
    1,4-butanediol 165.19
    1,1-dichloroethane 1656.73
    2-methyl-1-pentanol 294.93
    methyl formate 737.0
    2-methyl-1-butanol 436.59
    n-decane 69.82
    butyronitrile 913.42
    3,7-dimethyl-1-octanol 219.38
    1-chlorooctane 220.25
    1-chlorotetradecane 92.43
    n-nonane 70.98
    undecane 53.47
    tert-butylcyclohexane 86.26
    cyclooctane 55.43
    cyclopentanol 572.38
    tetrahydropyran 1448.07
    tert-amyl methyl ether 483.6
    2,5,8-trioxanonane 500.94
    1-hexene 354.51
    2-isopropoxyethanol 323.65
    2,2,2-trifluoroethanol 237.66
    methyl butyrate 565.09

    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