p-Methyl acetophenone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    122-00-9

    Molecular formula
    C9H10O

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1186.5
    • Carbowax: 1758.67

  • Odor profile

    Sweet 94.29%
    Floral 91.84%
    Cherry 72.56%
    Hawthorn 69.6%
    Powdery 64.87%
    Almond 62.29%
    Coumarinic 60.95%
    Hay 57.24%
    Anisic 55.23%
    Fruity 52.07%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.52 (neutral)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 28 °C

    Boiling point

    • 222.00 to 226.00 °C. @ 756.00 mm Hg

    Flash point est.
    86.27 ˚C

    Solubility expt.

    • 0.372 mg/mL at 15 °C
    • insoluble in water; soluble in organic solvents, oils
    • very soluble (in ethanol)

  • Synonyms

    • 4'-Methylacetophenone
    • 122-00-9
    • 1-(p-Tolyl)ethanone
    • p-Methylacetophenone
    • 1-(4-Methylphenyl)ethanone
    • Melilotal
    • p-Methyl acetophenone
    • 1-p-Tolylethanone
    • Methyl p-tolyl ketone
    • 4-METHYLACETOPHENONE
    • 4-Acetyltoluene
    • p-Acetotoluene
    • p-Acetyltoluene
    • Ethanone, 1-(4-methylphenyl)-
    • 1-Acetyl-4-methylbenzene
    • Acetophenone, 4'-methyl-
    • 1-Methyl-4-acetylbenzene
    • 4-Methylphenyl methyl ketone
    • 1-(4-Methylphenyl)ethan-1-one
    • FEMA No. 2677
    • Tolyl methyl ketone, p-
    • NSC 9401
    • 1-P-TOLYL-ETHANONE
    • EINECS 204-514-8
    • AX66V0KX3Y
    • MFCD00008751
    • 4-methyl acetophenone
    • DTXSID9044374
    • AI3-00734
    • 4'-Methyl acetophenone
    • METHYLACETOPHENONE
    • para-Methyl-acetophenone
    • NSC-9401
    • METHYL-P-TOLYL KETONE
    • (4-Methylphenyl) methyl ketone
    • DTXCID7024374
    • EC 204-514-8
    • 4-METHYL ACETOPHENONE [FCC]
    • 4'-METHYLACETOPHENONE [FHFI]
    • acetophenone, p-methyl-
    • para-methyl acetophenone
    • UNII-AX66V0KX3Y
    • pAcetotoluene
    • pAcetyltoluene
    • Esberiven
    • Melilot
    • 1pTolylethanone
    • Yellow melilot
    • Sweet clover
    • FEMA 2677
    • pMethylacetophenone
    • 4-tolylmethylketone
    • pMethyl acetophenone
    • Yellow sweet clover
    • 4-methylacteophenone
    • Methyl ptolyl ketone
    • p- methylacetophenone
    • p-methyl-acetophenone
    • 1Acetyl4methylbenzene
    • 1Methyl4acetylbenzene
    • nchem.328-comp4a
    • 4?-Methylacetophenone
    • p-tolyl methyl ketone
    • p- Methyl acetophenone
    • 4'-methyl-acetophenone
    • 1-(p-tolyl)-ethanone
    • 4\'-Methylacetophenone
    • Acetophenone, 4'methyl
    • Tolyl methyl ketone, p
    • Para Methyl Acetophenone
    • (4-Methylphenyl)ethanone
    • 1(4Methylphenyl)ethanone
    • 4Methylphenyl methyl ketone
    • Ethanone, 1(4methylphenyl)
    • SCHEMBL55409
    • 1-(4-methylphenyl)-ethanone
    • 4'-Methylacetophenone, 95%
    • WLN: 1VR D1
    • 1-(4-Methylphenyl)ethanone #
    • CHEMBL271871
    • 1-(4-methylphenyl)-1-ethanone
    • NSC9401
    • CHEBI:178626
    • 1-(4-Methylphenyl)ethanone, 9CI
    • Tox21_302023
    • P-METHYL ACETOPHENONE [INCI]
    • STL146461
    • AKOS000119027
    • CS-W013369
    • FM31610
    • HY-W012653
    • NCGC00255943-01
    • AC-26823
    • AS-12910
    • CAS-122-00-9
    • PD158295
    • 4'-Methylacetophenone, analytical standard
    • 4'-Methylacetophenone, >=95%, FCC, FG
    • DB-012815
    • M0135
    • NS00010667
    • EN300-17994
    • D70502
    • 4'-Methylacetophenone, purum, >=96.0% (GC)
    • 4-Acetyltoluene; 1-(4-methylphenyl)ethan-1-one
    • doi:10.14272/GNKZMNRKLCTJAY-UHFFFAOYSA-N.1
    • Q2816673
    • 4'-Methylacetophenone, Vetec(TM) reagent grade, 94%
    • Z57127458
    • F9995-0065
    • 204-514-8

  • Applications

    4′-Methylacetophenone (p-methylacetophenone, CAS 122-00-9) is a versatile fragrance and synthetic intermediate employed by the cosmetic and food industries to impart a sweet woody note to perfumes, soaps, scented candles, candies and beverages, while also serving as a starting material for the preparation of anti-inflammatory APIs, veterinary drugs, indanol derivatives, photoinitiators, plastic stabilizers, rubber additives, anthraquinone dye intermediates, and as a high-purity reference standard in gas and liquid chromatography due to its characteristic UV absorbance.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 454.04
    methanol 334.4
    isopropanol 336.57
    water 3.26
    ethyl acetate 748.24
    n-propanol 344.84
    acetone 779.56
    n-butanol 318.61
    acetonitrile 1216.69
    DMF 884.1
    toluene 255.34
    isobutanol 244.21
    1,4-dioxane 1673.85
    methyl acetate 734.47
    THF 1111.34
    2-butanone 581.42
    n-pentanol 198.6
    sec-butanol 285.69
    n-hexane 46.5
    ethylene glycol 85.07
    NMP 635.5
    cyclohexane 94.92
    DMSO 529.97
    n-butyl acetate 403.33
    n-octanol 157.6
    chloroform 1660.3
    n-propyl acetate 304.58
    acetic acid 449.12
    dichloromethane 1889.44
    cyclohexanone 760.18
    propylene glycol 123.74
    isopropyl acetate 286.5
    DMAc 574.81
    2-ethoxyethanol 294.78
    isopentanol 259.44
    n-heptane 55.81
    ethyl formate 476.31
    1,2-dichloroethane 837.26
    n-hexanol 279.33
    2-methoxyethanol 500.21
    isobutyl acetate 160.9
    tetrachloromethane 222.69
    n-pentyl acetate 191.24
    transcutol 1223.26
    n-heptanol 134.23
    ethylbenzene 153.84
    MIBK 213.25
    2-propoxyethanol 400.79
    tert-butanol 415.92
    MTBE 351.36
    2-butoxyethanol 228.84
    propionic acid 357.48
    o-xylene 158.21
    formic acid 142.25
    diethyl ether 547.59
    m-xylene 155.03
    p-xylene 212.48
    chlorobenzene 384.43
    dimethyl carbonate 220.31
    n-octane 21.62
    formamide 358.08
    cyclopentanone 840.84
    2-pentanone 460.73
    anisole 380.89
    cyclopentyl methyl ether 421.7
    gamma-butyrolactone 960.88
    1-methoxy-2-propanol 338.34
    pyridine 793.4
    3-pentanone 371.86
    furfural 762.71
    n-dodecane 19.85
    diethylene glycol 254.04
    diisopropyl ether 117.51
    tert-amyl alcohol 309.91
    acetylacetone 484.55
    n-hexadecane 22.49
    acetophenone 287.74
    methyl propionate 466.9
    isopentyl acetate 284.14
    trichloroethylene 1486.59
    n-nonanol 135.58
    cyclohexanol 295.86
    benzyl alcohol 229.3
    2-ethylhexanol 183.91
    isooctanol 107.39
    dipropyl ether 287.91
    1,2-dichlorobenzene 326.43
    ethyl lactate 123.1
    propylene carbonate 533.2
    n-methylformamide 476.56
    2-pentanol 204.22
    n-pentane 44.84
    1-propoxy-2-propanol 273.73
    1-methoxy-2-propyl acetate 332.61
    2-(2-methoxypropoxy) propanol 280.76
    mesitylene 90.25
    ε-caprolactone 605.76
    p-cymene 107.66
    epichlorohydrin 1116.35
    1,1,1-trichloroethane 781.7
    2-aminoethanol 182.21
    morpholine-4-carbaldehyde 856.29
    sulfolane 673.5
    2,2,4-trimethylpentane 23.64
    2-methyltetrahydrofuran 847.89
    n-hexyl acetate 307.39
    isooctane 17.22
    2-(2-butoxyethoxy)ethanol 366.2
    sec-butyl acetate 187.36
    tert-butyl acetate 263.31
    decalin 43.75
    glycerin 140.11
    diglyme 714.59
    acrylic acid 289.34
    isopropyl myristate 129.25
    n-butyric acid 449.3
    acetyl acetate 380.9
    di(2-ethylhexyl) phthalate 118.31
    ethyl propionate 294.81
    nitromethane 992.61
    1,2-diethoxyethane 482.08
    benzonitrile 385.23
    trioctyl phosphate 82.92
    1-bromopropane 447.2
    gamma-valerolactone 1020.72
    n-decanol 105.7
    triethyl phosphate 143.13
    4-methyl-2-pentanol 110.81
    propionitrile 627.94
    vinylene carbonate 542.72
    1,1,2-trichlorotrifluoroethane 451.48
    DMS 279.89
    cumene 104.93
    2-octanol 94.68
    2-hexanone 295.06
    octyl acetate 163.8
    limonene 156.82
    1,2-dimethoxyethane 696.54
    ethyl orthosilicate 130.41
    tributyl phosphate 111.54
    diacetone alcohol 269.48
    N,N-dimethylaniline 212.62
    acrylonitrile 699.23
    aniline 303.07
    1,3-propanediol 256.94
    bromobenzene 376.94
    dibromomethane 1036.11
    1,1,2,2-tetrachloroethane 934.53
    2-methyl-cyclohexyl acetate 219.89
    tetrabutyl urea 137.74
    diisobutyl methanol 101.28
    2-phenylethanol 239.39
    styrene 201.49
    dioctyl adipate 194.47
    dimethyl sulfate 256.81
    ethyl butyrate 322.57
    methyl lactate 157.01
    butyl lactate 132.18
    diethyl carbonate 246.9
    propanediol butyl ether 195.35
    triethyl orthoformate 194.89
    p-tert-butyltoluene 98.39
    methyl 4-tert-butylbenzoate 236.52
    morpholine 1408.58
    tert-butylamine 269.42
    n-dodecanol 83.78
    dimethoxymethane 530.37
    ethylene carbonate 449.43
    cyrene 231.63
    2-ethoxyethyl acetate 296.01
    2-ethylhexyl acetate 235.99
    1,2,4-trichlorobenzene 370.14
    4-methylpyridine 689.53
    dibutyl ether 234.89
    2,6-dimethyl-4-heptanol 101.28
    DEF 465.01
    dimethyl isosorbide 479.75
    tetrachloroethylene 569.09
    eugenol 218.68
    triacetin 300.59
    span 80 226.24
    1,4-butanediol 93.53
    1,1-dichloroethane 854.55
    2-methyl-1-pentanol 182.12
    methyl formate 412.7
    2-methyl-1-butanol 236.49
    n-decane 31.52
    butyronitrile 565.67
    3,7-dimethyl-1-octanol 147.7
    1-chlorooctane 124.31
    1-chlorotetradecane 51.29
    n-nonane 31.35
    undecane 24.45
    tert-butylcyclohexane 40.16
    cyclooctane 27.31
    cyclopentanol 317.26
    tetrahydropyran 994.06
    tert-amyl methyl ether 236.46
    2,5,8-trioxanonane 502.53
    1-hexene 164.69
    2-isopropoxyethanol 206.79
    2,2,2-trifluoroethanol 183.51
    methyl butyrate 370.68

    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
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.1%
Massoia bark Cryptocaryo massoia, fam. Lauraceae 0.01%
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.02%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.02%
Parsley seed (Korea) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.1%
Parsley leaf (Korea) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (C. sativum Hoffm.), fam. Apiaceae 0.61%
Pistacia lentiscus (Spain) 1a leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.01%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Narcissus (Japan) 1a 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amarillidaceae 0.01%
Santolina chamaecyparisus (Egypt) 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.47%
Celery leaf/stem (Libya) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 1.2%
Conyza pinnata (Zimbabwe) Conyza pinnata (Kuntz), fam. Asteraceae (Compositae) 2.82%
Parsley leaf (Germany), 1b (smooth leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.12%
Parsley leaf (Germany), 1a (curly leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.1%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Illicium griffithii fruit Illicium griffithii Hook. f. et Thoms., fam. Magnoliaceae (Illiciaceae) 0.05%
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.03%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.01%
Lime (Mexican, West Indian, Key) 5 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.03%
Lime (Mexican, West Indian, Key) 7 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.01%
Turmeric (Malaysia) 8024-37-1 Curcuma longa L. (C. domestica Val.), fam. Zingiberaceae 0.1%
Rosemary (Japan) 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.03%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Parsley leaf (Germany) 2a 8000-68-8 Petroselinum crispun (Miller) A.W. Hill cv Hamburger Schnitt,fam. Apiaceae 0.09%
Parsley leaf (Germany) 2b 800-68-8 Petroselinum crispun (Miller) A.W. Hill cv Mooskrause, fam. Apiaceae 0.03%
Turmeric (India) 5b leaf 8024-37-1 Curcuma longa L., cv. Roma (C. domestica Val.), fam. Zingiberaceae 0.1%
Cymbopogon giganteus (Mali) Cymbopogon giganteus (Hochst.) Chiov., fam. Poaceae (Gramineae) 4.6%
Argyranthemum adauctum ssp. adauctum Argyranthemum adauctum ssp.adauctum Humphries, fam.Asteraceae (Compositae) 1.9%
Argyranthemum adauctum ssp. gracile Argyranthemum adauctum ssp.gracile Humphries, fam. Asteraceae (Compositae) 0.01%