1-(3,5-Dimethylphenyl)ethan-1-one

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  • Identifiers

    CAS number
    5379-16-8

    Molecular formula
    C10H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 73.51%
    Sweet 64.51%
    Powdery 43.16%
    Hay 41.67%
    Woody 38.97%
    Hawthorn 37.66%
    Cherry 36.33%
    Coumarinic 35.69%
    Phenolic 35.42%
    Herbal 33.66%

     

    Flavor
    Sweet 68.05%
    Woody 62.03%
    Floral 44.31%
    Phenolic 40.96%
    Powdery 37.27%
    Tobacco 35.08%
    Dry 32.41%
    Spicy 31.9%
    Mimosa 30.02%
    Minty 29.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.96 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point

    • 89.78 ˚C est.

  • Synonyms

    • 1-(3,5-dimethylphenyl)ethan-1-one
    • Ethanone, 1-(dimethylphenyl)-
    • EINECS 215-632-4
    • DTXSID80928152
    • RefChem:422960
    • DTXCID501315162
    • 676-296-6
    • 1-(3,5-dimethylphenyl)ethanone
    • 5379-16-8
    • 3,5-Dimethylacetophenone
    • 3',5'-Dimethylacetophenone
    • ETHANONE, 1-(3,5-DIMETHYLPHENYL)-
    • MFCD01075693
    • 1335-42-8
    • 1-(Dimethylphenyl)ethan-1-one
    • SCHEMBL95695
    • 3', 5'-dimethylacetophenone
    • 3',5'-dimethyl acetophenone
    • 1-acetyl-3,5-dimethylbenzene
    • CHEMBL558696
    • SCHEMBL1637046
    • SCHEMBL1637909
    • SCHEMBL2094563
    • CK1150
    • AKOS009156393
    • 3,5-(CH3)=C6H3-COCH3
    • AB08165
    • CS-W007965
    • FD64526
    • DS-14321
    • SY050158
    • D4868
    • NS00012329
    • ST50824128
    • EN300-71764
    • F037867
    • Z608067730
    • 3 inverted exclamation mark ,5 inverted exclamation mark -Dimethylacetophenone
    • 1335-42-8

  • Applications

    1-(3,5-Dimethylphenyl)ethan-1-one (CAS 5379-16-8) is commonly used as a fragrance intermediate and odorant in perfumery, contributing core aroma notes; it is also employed in cosmetics and personal care products as a fragrance component. It can serve as an organic synthesis building block or intermediate in industrial manufacturing, enabling access to more complex aroma chemicals and specialty compounds. In household products and cleaners, as well as coatings and inks, it may be used as a fragrance additive. Additionally, it is encountered as a starting material in pharmaceutical and polymer research to access related derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 684.12
    methanol 829.13
    isopropanol 619.04
    water 3.88
    ethyl acetate 905.64
    n-propanol 658.5
    acetone 1111.57
    n-butanol 676.43
    acetonitrile 816.39
    DMF 1446.48
    toluene 519.92
    isobutanol 504.88
    1,4-dioxane 1675.02
    methyl acetate 909.53
    THF 2009.37
    2-butanone 965.99
    n-pentanol 440.45
    sec-butanol 567.35
    n-hexane 312.16
    ethylene glycol 228.74
    NMP 893.05
    cyclohexane 244.54
    DMSO 767.05
    n-butyl acetate 528.15
    n-octanol 447.99
    chloroform 1729.75
    n-propyl acetate 431.48
    acetic acid 286.66
    dichloromethane 1530.97
    cyclohexanone 1090.87
    propylene glycol 263.54
    isopropyl acetate 495.24
    DMAc 915.58
    2-ethoxyethanol 579.1
    isopentanol 522.95
    n-heptane 163.55
    ethyl formate 531.67
    1,2-dichloroethane 1099.05
    n-hexanol 784.35
    2-methoxyethanol 988.48
    isobutyl acetate 297.54
    tetrachloromethane 333.55
    n-pentyl acetate 360.69
    transcutol 957.47
    n-heptanol 356.79
    ethylbenzene 387.07
    MIBK 541.92
    2-propoxyethanol 1024.48
    tert-butanol 715.93
    MTBE 826.34
    2-butoxyethanol 467.54
    propionic acid 437.71
    o-xylene 366.64
    formic acid 119.47
    diethyl ether 1092.85
    m-xylene 439.26
    p-xylene 409.34
    chlorobenzene 503.12
    dimethyl carbonate 359.0
    n-octane 95.69
    formamide 188.67
    cyclopentanone 1296.91
    2-pentanone 914.71
    anisole 650.91
    cyclopentyl methyl ether 1062.01
    gamma-butyrolactone 1208.39
    1-methoxy-2-propanol 870.33
    pyridine 724.34
    3-pentanone 687.67
    furfural 796.11
    n-dodecane 73.36
    diethylene glycol 635.36
    diisopropyl ether 325.0
    tert-amyl alcohol 606.99
    acetylacetone 784.09
    n-hexadecane 83.21
    acetophenone 444.77
    methyl propionate 771.37
    isopentyl acetate 427.87
    trichloroethylene 1420.89
    n-nonanol 343.36
    cyclohexanol 587.33
    benzyl alcohol 371.95
    2-ethylhexanol 409.11
    isooctanol 265.65
    dipropyl ether 527.78
    1,2-dichlorobenzene 464.7
    ethyl lactate 245.32
    propylene carbonate 636.19
    n-methylformamide 621.34
    2-pentanol 517.73
    n-pentane 213.26
    1-propoxy-2-propanol 612.54
    1-methoxy-2-propyl acetate 512.85
    2-(2-methoxypropoxy) propanol 330.35
    mesitylene 282.81
    ε-caprolactone 852.1
    p-cymene 198.47
    epichlorohydrin 1477.28
    1,1,1-trichloroethane 955.45
    2-aminoethanol 341.58
    morpholine-4-carbaldehyde 1124.41
    sulfolane 1033.3
    2,2,4-trimethylpentane 90.92
    2-methyltetrahydrofuran 1354.9
    n-hexyl acetate 611.4
    isooctane 85.07
    2-(2-butoxyethoxy)ethanol 501.69
    sec-butyl acetate 318.77
    tert-butyl acetate 506.2
    decalin 150.64
    glycerin 315.04
    diglyme 859.88
    acrylic acid 341.26
    isopropyl myristate 232.12
    n-butyric acid 558.34
    acetyl acetate 413.02
    di(2-ethylhexyl) phthalate 164.94
    ethyl propionate 455.15
    nitromethane 709.1
    1,2-diethoxyethane 545.13
    benzonitrile 447.01
    trioctyl phosphate 150.69
    1-bromopropane 804.81
    gamma-valerolactone 1311.25
    n-decanol 250.71
    triethyl phosphate 180.16
    4-methyl-2-pentanol 301.62
    propionitrile 692.57
    vinylene carbonate 546.05
    1,1,2-trichlorotrifluoroethane 585.57
    DMS 428.11
    cumene 269.04
    2-octanol 292.45
    2-hexanone 564.0
    octyl acetate 304.31
    limonene 292.71
    1,2-dimethoxyethane 1025.8
    ethyl orthosilicate 179.14
    tributyl phosphate 164.16
    diacetone alcohol 560.92
    N,N-dimethylaniline 413.57
    acrylonitrile 731.46
    aniline 446.71
    1,3-propanediol 485.88
    bromobenzene 557.72
    dibromomethane 1090.64
    1,1,2,2-tetrachloroethane 1198.31
    2-methyl-cyclohexyl acetate 287.75
    tetrabutyl urea 212.85
    diisobutyl methanol 214.55
    2-phenylethanol 432.16
    styrene 427.39
    dioctyl adipate 247.43
    dimethyl sulfate 488.92
    ethyl butyrate 358.24
    methyl lactate 347.83
    butyl lactate 233.43
    diethyl carbonate 237.31
    propanediol butyl ether 403.51
    triethyl orthoformate 234.36
    p-tert-butyltoluene 203.15
    methyl 4-tert-butylbenzoate 345.9
    morpholine 1544.45
    tert-butylamine 504.4
    n-dodecanol 196.93
    dimethoxymethane 1141.59
    ethylene carbonate 500.78
    cyrene 311.94
    2-ethoxyethyl acetate 408.52
    2-ethylhexyl acetate 352.05
    1,2,4-trichlorobenzene 490.34
    4-methylpyridine 834.34
    dibutyl ether 462.82
    2,6-dimethyl-4-heptanol 214.55
    DEF 863.97
    dimethyl isosorbide 516.16
    tetrachloroethylene 766.2
    eugenol 346.64
    triacetin 341.57
    span 80 306.31
    1,4-butanediol 237.63
    1,1-dichloroethane 1103.09
    2-methyl-1-pentanol 377.12
    methyl formate 560.06
    2-methyl-1-butanol 515.87
    n-decane 121.52
    butyronitrile 728.52
    3,7-dimethyl-1-octanol 309.66
    1-chlorooctane 382.75
    1-chlorotetradecane 146.1
    n-nonane 136.81
    undecane 91.04
    tert-butylcyclohexane 155.95
    cyclooctane 122.61
    cyclopentanol 593.83
    tetrahydropyran 1433.34
    tert-amyl methyl ether 660.35
    2,5,8-trioxanonane 518.96
    1-hexene 622.63
    2-isopropoxyethanol 441.93
    2,2,2-trifluoroethanol 164.64
    methyl butyrate 558.13

    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