2,4-Dimethylacetophenone

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  • Identifiers

    CAS number
    89-74-7

    Molecular formula
    C10H12O

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

    Retention indicies (RI)

    • DB5: 1217.0
    • Carbowax: 1809.0

  • Odor profile

    Floral 86.77%
    Sweet 83.87%
    Powdery 55.84%
    Hawthorn 54.19%
    Hay 53.96%
    Coumarinic 49.06%
    Woody 46.25%
    Phenolic 44.79%
    Cherry 44.5%
    Nutty 43.09%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 117.00 to 118.00 °C. @ 18.00 mm Hg

    Flash point est.
    98.82 ˚C

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 2',4'-Dimethylacetophenone
    • 89-74-7
    • 1-(2,4-DIMETHYLPHENYL)ETHANONE
    • 2,4-Dimethylacetophenone
    • Acetyl-m-xylene
    • Ethanone, 1-(2,4-dimethylphenyl)-
    • 4-Acetyl-m-xylene
    • Acetophenone, 2',4'-dimethyl-
    • 1-(2,4-Dimethylphenyl)ethan-1-one
    • FEMA No. 2387
    • Methyl 2,4-dimethylphenyl ketone
    • 8K29ME27YA
    • 2,4-dimethylacetophenon
    • EINECS 201-935-9
    • MFCD00003571
    • NSC 15333
    • NSC-15333
    • (2,4-Dimethylphenyl)ethanone
    • AI3-20801
    • 2,4-DIMETHYLACETOPHENONE [FHFI]
    • UNII-8K29ME27YA
    • 1-(2,4-Dimethylphenyl)Ethanone; 2,4-Dimethylacetophenone; 2,4-Dimethylphenyl Methyl Ketone; 2',4'-Dimethylacetophenone
    • NSC15333
    • 2,4-dimethyl-acetophenone
    • Acetophenone,4'-dimethyl-
    • SCHEMBL96218
    • 2',4'-Dimethyl-Acetophenone
    • 2'',4''-Dimethylacetophenone
    • CHEMBL541939
    • DTXSID9058997
    • FEMA 2387
    • Methyl 2,4 dimethylphenyl ketone
    • CHEBI:195895
    • 1-(2,4-dimethylphenyl)-ethanone
    • 1-(2,4-dimethyl-phenyl)-ethanone
    • 2',4'-Dimethylacetophenone, 96%
    • STR06914
    • 1-(2,4-Dimethylphenyl)ethanone #
    • CK2555
    • STK411181
    • AKOS000120519
    • 1-(2,4-Dimethylphenyl)ethanone, 9CI
    • 2,4-(CH3)2C6H3-COCH3
    • CS-W016334
    • FD69977
    • HY-W015618
    • Acetophenone, 2',4'-dimethyl- (8CI)
    • AC-11737
    • PD158323
    • SY013632
    • 2',4'-Dimethylacetophenone, >=96%, FG
    • DB-003233
    • D1879
    • NS00021382
    • EN300-20896
    • Q27270656
    • F0001-2200
    • 2 inverted exclamation mark ,4 inverted exclamation mark -Dimethylacetophenone
    • 201-935-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1056.66
    methanol 1406.16
    isopropanol 620.81
    water 4.41
    ethyl acetate 1465.1
    n-propanol 797.06
    acetone 1961.36
    n-butanol 706.01
    acetonitrile 2736.7
    DMF 1974.2
    toluene 743.16
    isobutanol 501.57
    1,4-dioxane 4242.3
    methyl acetate 1288.84
    THF 4093.32
    2-butanone 1164.46
    n-pentanol 438.65
    sec-butanol 511.89
    n-hexane 267.9
    ethylene glycol 141.12
    NMP 1663.58
    cyclohexane 604.52
    DMSO 953.57
    n-butyl acetate 888.97
    n-octanol 309.06
    chloroform 3235.72
    n-propyl acetate 630.32
    acetic acid 862.37
    dichloromethane 3987.03
    cyclohexanone 2109.95
    propylene glycol 140.59
    isopropyl acetate 590.07
    DMAc 840.87
    2-ethoxyethanol 525.31
    isopentanol 476.53
    n-heptane 253.88
    ethyl formate 1083.79
    1,2-dichloroethane 2119.6
    n-hexanol 766.11
    2-methoxyethanol 1084.18
    isobutyl acetate 314.19
    tetrachloromethane 570.54
    n-pentyl acetate 426.9
    transcutol 1566.49
    n-heptanol 262.97
    ethylbenzene 337.85
    MIBK 472.48
    2-propoxyethanol 1031.98
    tert-butanol 663.74
    MTBE 709.07
    2-butoxyethanol 397.98
    propionic acid 586.18
    o-xylene 333.12
    formic acid 320.29
    diethyl ether 1895.82
    m-xylene 424.15
    p-xylene 397.73
    chlorobenzene 1002.64
    dimethyl carbonate 466.41
    n-octane 72.33
    formamide 628.93
    cyclopentanone 2216.97
    2-pentanone 1165.23
    anisole 674.87
    cyclopentyl methyl ether 1714.04
    gamma-butyrolactone 2585.39
    1-methoxy-2-propanol 649.25
    pyridine 1643.26
    3-pentanone 843.74
    furfural 1379.89
    n-dodecane 50.75
    diethylene glycol 534.17
    diisopropyl ether 330.05
    tert-amyl alcohol 446.45
    acetylacetone 942.46
    n-hexadecane 60.65
    acetophenone 484.83
    methyl propionate 1005.32
    isopentyl acetate 574.71
    trichloroethylene 2965.69
    n-nonanol 263.74
    cyclohexanol 828.25
    benzyl alcohol 408.99
    2-ethylhexanol 392.63
    isooctanol 192.63
    dipropyl ether 829.61
    1,2-dichlorobenzene 712.78
    ethyl lactate 204.22
    propylene carbonate 1164.3
    n-methylformamide 1219.75
    2-pentanol 429.4
    n-pentane 253.97
    1-propoxy-2-propanol 567.52
    1-methoxy-2-propyl acetate 629.97
    2-(2-methoxypropoxy) propanol 352.18
    mesitylene 249.26
    ε-caprolactone 1466.07
    p-cymene 211.96
    epichlorohydrin 2769.66
    1,1,1-trichloroethane 1646.07
    2-aminoethanol 303.88
    morpholine-4-carbaldehyde 1641.38
    sulfolane 1565.89
    2,2,4-trimethylpentane 65.35
    2-methyltetrahydrofuran 2625.62
    n-hexyl acetate 684.45
    isooctane 55.02
    2-(2-butoxyethoxy)ethanol 562.6
    sec-butyl acetate 338.12
    tert-butyl acetate 521.33
    decalin 146.63
    glycerin 179.97
    diglyme 1124.08
    acrylic acid 475.3
    isopropyl myristate 235.74
    n-butyric acid 861.12
    acetyl acetate 733.22
    di(2-ethylhexyl) phthalate 185.24
    ethyl propionate 604.96
    nitromethane 1938.52
    1,2-diethoxyethane 960.11
    benzonitrile 747.55
    trioctyl phosphate 145.52
    1-bromopropane 1245.44
    gamma-valerolactone 2357.96
    n-decanol 192.23
    triethyl phosphate 237.12
    4-methyl-2-pentanol 205.78
    propionitrile 1345.43
    vinylene carbonate 1124.29
    1,1,2-trichlorotrifluoroethane 728.46
    DMS 528.37
    cumene 206.82
    2-octanol 190.62
    2-hexanone 605.59
    octyl acetate 321.28
    limonene 357.22
    1,2-dimethoxyethane 1420.36
    ethyl orthosilicate 226.31
    tributyl phosphate 191.75
    diacetone alcohol 428.21
    N,N-dimethylaniline 354.22
    acrylonitrile 1327.01
    aniline 659.02
    1,3-propanediol 451.9
    bromobenzene 1015.21
    dibromomethane 2429.52
    1,1,2,2-tetrachloroethane 1719.16
    2-methyl-cyclohexyl acetate 383.4
    tetrabutyl urea 241.51
    diisobutyl methanol 189.13
    2-phenylethanol 479.79
    styrene 437.08
    dioctyl adipate 316.8
    dimethyl sulfate 459.63
    ethyl butyrate 596.35
    methyl lactate 266.88
    butyl lactate 238.42
    diethyl carbonate 401.0
    propanediol butyl ether 296.97
    triethyl orthoformate 374.07
    p-tert-butyltoluene 195.37
    methyl 4-tert-butylbenzoate 350.12
    morpholine 3536.28
    tert-butylamine 512.28
    n-dodecanol 145.18
    dimethoxymethane 1658.79
    ethylene carbonate 1034.08
    cyrene 343.49
    2-ethoxyethyl acetate 589.82
    2-ethylhexyl acetate 496.1
    1,2,4-trichlorobenzene 703.7
    4-methylpyridine 1533.79
    dibutyl ether 541.73
    2,6-dimethyl-4-heptanol 189.13
    DEF 1106.02
    dimethyl isosorbide 777.97
    tetrachloroethylene 1225.11
    eugenol 314.18
    triacetin 436.54
    span 80 331.44
    1,4-butanediol 163.21
    1,1-dichloroethane 1833.21
    2-methyl-1-pentanol 352.33
    methyl formate 1147.19
    2-methyl-1-butanol 448.76
    n-decane 93.21
    butyronitrile 1372.92
    3,7-dimethyl-1-octanol 242.88
    1-chlorooctane 297.11
    1-chlorotetradecane 113.74
    n-nonane 100.95
    undecane 66.89
    tert-butylcyclohexane 109.97
    cyclooctane 166.43
    cyclopentanol 880.51
    tetrahydropyran 3334.63
    tert-amyl methyl ether 500.62
    2,5,8-trioxanonane 688.48
    1-hexene 590.0
    2-isopropoxyethanol 340.86
    2,2,2-trifluoroethanol 296.44
    methyl butyrate 747.49

    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

Botanical

Name CAS Botanical Proportion
Osmanthus headspace (flowers) (China) 3 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. latifolius Makino, fam. Oleaceae 0.2%
Cymbidium sinense flower headspace (China) Cymbidium sinense (Andr.) Willd., fam. Orchidaceae 0.25%
Solanum stuckertii flower Solanum stuckertii Bitter, fam. Solanaceae 0.01%
Solanum incisum flower Solanum incisum Griseb., fam. Solanaceae 0.01%