Acetophenone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    98-86-2

    Molecular formula
    C8H8O

    SMILES
    CC(=O)C1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1065.0
    • Carbowax: 1635.0

  • Odor profile

    Sweet 93.89%
    Floral 87.94%
    Hawthorn 70.12%
    Cherry 68.43%
    Powdery 65.67%
    Coumarinic 63.64%
    Almond 63.09%
    Hay 57.65%
    Anisic 55.19%
    Vanilla 55.11%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 0.17 [mmHg]. Odor Threshold High: 0.6 [mmHg]. Odor Threshold avg = 0.5 ppm. [CHEMINFO] mp = 20.5 °C
    • 0.8347 mg/cu m (odor low) 2.9460 (odor high)
    • 65.0 ppm/water

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.79 (neutral)

    Molecular weight
    120.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 67.5 °F (USCG, 1999)
    • 19.4 °C
    • 20 °C
    • 67.5 °F

    Boiling point

    • 395.1 °F at 760 mmHg (USCG, 1999)
    • 202.1 °C
    • 202.00 to 203.00 °C. @ 760.00 mm Hg
    • 202 °C
    • 395.1 °F

    Flash point est.
    66.99 ˚C

    Flash point expt.

    • 180 °F (USCG, 1999)
    • 105 °C
    • 76 °C (169 °F) - closed cup
    • 170 °F (77 °C) - closed cup
    • 170.6 °F (77 °C) - closed cup; 180 °F (82.2 °C) - open cup
    • 82 °C - open cup
    • 77 °C c.c.
    • 180 °F

    Solubility expt.

    • In water, 6,130 mg/L at 25 °C
    • Slightly soluble in water
    • Slightly soluble in concentrated sulfuric acid with orange color; freely soluble in alcohol, chloroform, ether, fatty oils, glycerol
    • Soluble in ethanol, ether, acetone, benzene, concentrated sulfuric acid, chloroform
    • Miscible with ethanol at above 20 °C
    • 6.13 mg/mL at 25 °C
    • Solubility in water, g/100ml at 25 °C: 0.6 (poor)
    • very slightly soluble in water; soluble in organic solvents, oils
    • miscible above 20� (in ethanol)

  • Synonyms

    • ACETOPHENONE
    • 98-86-2
    • 1-Phenylethanone
    • Phenyl methyl ketone
    • Methyl phenyl ketone
    • Acetylbenzene
    • Ethanone, 1-phenyl-
    • Hypnone
    • Benzoyl methide
    • Acetophenon
    • Acetylbenzol
    • 1-phenylethan-1-one
    • 1-Phenyl-1-ethanone
    • Benzoylmethide
    • Acetofenon
    • Benzene, acetyl-
    • Ketone, methyl phenyl
    • Hypnon
    • USAF EK-496
    • methylphenylketone
    • phenylmethylketone
    • RCRA waste number U004
    • 1-phenyl-ethanone
    • Acetofenon [Czech]
    • Phenylethanone
    • Dymex
    • NSC 7635
    • FEMA No. 2009
    • FEMA Number 2009
    • CCRIS 1341
    • HSDB 969
    • Acetophenone-alpha-13C
    • AI3-00575
    • RCRA waste no. U004
    • EINECS 202-708-7
    • UNII-RK493WHV10
    • RK493WHV10
    • DTXSID6021828
    • CHEBI:27632
    • Ketone, methyl phenyl-
    • NSC-7635
    • Acetophenone-methyl-13C
    • CHEMBL274467
    • DTXCID501828
    • EC 202-708-7
    • ACETOPHENONE (II)
    • ACETOPHENONE [II]
    • Acetofenona
    • CAS-98-86-2
    • MFCD00064447
    • AC0
    • (2,2,2,-2H3)ACETOPHENONE
    • aceto phenone
    • aceto-phenone
    • acetyl-benzen
    • alpha-Acetophenone
    • Ethanone,1-phenyl
    • methyl-phenyl ketone
    • MFCD00008724
    • Benzoyl methide hypnone
    • Acetophenone (Standard)
    • ACETOPHENONE [MI]
    • SCHEMBL737
    • ACETOPHENONE [FCC]
    • bmse000286
    • ACETOPHENONE [FHFI]
    • ACETOPHENONE [HSDB]
    • WLN: 1VR
    • Acetophenone, >=98%, FG
    • SCHEMBL8170205
    • SCHEMBL13341485
    • Acetophenone, analytical standard
    • HY-Y0989R
    • NSC7635
    • Acetophenone, >=98.0% (GC)
    • Acetophenone, natural, 98%, FG
    • AFA77094
    • HY-Y0989
    • STR00017
    • YWB02259
    • Tox21_202422
    • Tox21_300343
    • Acetophenone, ReagentPlus(R), 99%
    • BDBM50236986
    • c0117
    • s5528
    • AKOS000119011
    • CCG-266074
    • DB04619
    • USEPA/OPP Pesticide Code: 129033
    • NCGC00248000-01
    • NCGC00248000-02
    • NCGC00254370-01
    • NCGC00259971-01
    • DA-70496
    • SY073923
    • DB-044220
    • A0061
    • CS-0015982
    • NS00010659
    • EN300-18050
    • Acetophenone, puriss. p.a., >=99.0% (GC)
    • C07113
    • D71016
    • Q375112
    • Z57127548
    • Acetophenone, TraceCERT(R), certified reference material
    • InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H
    • 202-708-7

  • Applications

    Acetophenone (CAS 98-86-2) is widely employed as a sweet floral fragrance in perfumes, cosmetics, tobacco and food; as a solvent and plasticizer for resins, epoxy systems, coatings and printing inks; as a precursor for alkyd resins, poly-styrylketone resins, flame-retardant polymers and other engineering plastics; as a pharmaceutical intermediate for the preparation of sedatives, anticonvulsants, antihistamines, antifungals and other sophisticated organic compounds; and it also finds use in the manufacture of azo dyes, colorants for synthetic fibers, rubber stabilizers, lubricant additives, pesticides, artificial flavors, as well as a tracer or reactive agent in chemical, biochemical and advanced materials research.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1022.65
    methanol 1285.13
    isopropanol 801.57
    water 11.38
    ethyl acetate 1126.22
    n-propanol 830.27
    acetone 1527.44
    n-butanol 663.15
    acetonitrile 1666.02
    DMF 2201.01
    toluene 559.83
    isobutanol 632.53
    1,4-dioxane 2902.72
    methyl acetate 1289.95
    THF 1715.44
    2-butanone 1241.27
    n-pentanol 513.96
    sec-butanol 656.06
    n-hexane 231.85
    ethylene glycol 324.49
    NMP 1938.14
    cyclohexane 196.22
    DMSO 1971.98
    n-butyl acetate 476.21
    n-octanol 359.78
    chloroform 2821.6
    n-propyl acetate 640.54
    acetic acid 821.11
    dichloromethane 2721.34
    cyclohexanone 1489.95
    propylene glycol 325.48
    isopropyl acetate 557.45
    DMAc 1220.17
    2-ethoxyethanol 877.74
    isopentanol 517.54
    n-heptane 99.17
    ethyl formate 650.95
    1,2-dichloroethane 1676.8
    n-hexanol 485.23
    2-methoxyethanol 1260.63
    isobutyl acetate 394.88
    tetrachloromethane 504.0
    n-pentyl acetate 374.32
    transcutol 2092.66
    n-heptanol 281.94
    ethylbenzene 342.78
    MIBK 506.46
    2-propoxyethanol 831.02
    tert-butanol 790.79
    MTBE 728.38
    2-butoxyethanol 506.81
    propionic acid 938.73
    o-xylene 329.5
    formic acid 302.92
    diethyl ether 1084.68
    m-xylene 338.41
    p-xylene 392.17
    chlorobenzene 682.21
    dimethyl carbonate 454.98
    n-octane 59.23
    formamide 585.7
    cyclopentanone 1685.51
    2-pentanone 890.73
    anisole 771.26
    cyclopentyl methyl ether 976.23
    gamma-butyrolactone 1817.14
    1-methoxy-2-propanol 907.66
    pyridine 1381.73
    3-pentanone 782.16
    furfural 1266.08
    n-dodecane 50.57
    diethylene glycol 657.12
    diisopropyl ether 287.84
    tert-amyl alcohol 625.97
    acetylacetone 939.38
    n-hexadecane 56.77
    acetophenone 590.16
    methyl propionate 922.58
    isopentyl acetate 393.93
    trichloroethylene 2486.74
    n-nonanol 298.65
    cyclohexanol 593.98
    benzyl alcohol 466.7
    2-ethylhexanol 304.92
    isooctanol 233.25
    dipropyl ether 437.84
    1,2-dichlorobenzene 596.45
    ethyl lactate 289.82
    propylene carbonate 836.71
    n-methylformamide 1117.86
    2-pentanol 468.1
    n-pentane 143.58
    1-propoxy-2-propanol 504.23
    1-methoxy-2-propyl acetate 462.03
    2-(2-methoxypropoxy) propanol 443.47
    mesitylene 214.33
    ε-caprolactone 1209.83
    p-cymene 148.0
    epichlorohydrin 1937.1
    1,1,1-trichloroethane 1352.45
    2-aminoethanol 522.7
    morpholine-4-carbaldehyde 1864.19
    sulfolane 1944.7
    2,2,4-trimethylpentane 69.7
    2-methyltetrahydrofuran 1430.15
    n-hexyl acetate 622.94
    isooctane 58.09
    2-(2-butoxyethoxy)ethanol 684.52
    sec-butyl acetate 410.83
    tert-butyl acetate 523.38
    decalin 119.14
    glycerin 440.09
    diglyme 1290.21
    acrylic acid 760.89
    isopropyl myristate 241.13
    n-butyric acid 835.77
    acetyl acetate 588.79
    di(2-ethylhexyl) phthalate 172.02
    ethyl propionate 612.87
    nitromethane 1906.28
    1,2-diethoxyethane 688.48
    benzonitrile 648.12
    trioctyl phosphate 149.48
    1-bromopropane 938.97
    gamma-valerolactone 1901.38
    n-decanol 227.37
    triethyl phosphate 194.18
    4-methyl-2-pentanol 258.36
    propionitrile 1025.54
    vinylene carbonate 816.35
    1,1,2-trichlorotrifluoroethane 933.4
    DMS 559.32
    cumene 227.16
    2-octanol 232.48
    2-hexanone 720.47
    octyl acetate 312.43
    limonene 216.34
    1,2-dimethoxyethane 1380.65
    ethyl orthosilicate 181.3
    tributyl phosphate 176.91
    diacetone alcohol 579.62
    N,N-dimethylaniline 458.57
    acrylonitrile 1282.39
    aniline 643.62
    1,3-propanediol 641.67
    bromobenzene 743.41
    dibromomethane 1675.67
    1,1,2,2-tetrachloroethane 1841.6
    2-methyl-cyclohexyl acetate 280.83
    tetrabutyl urea 235.13
    diisobutyl methanol 168.1
    2-phenylethanol 390.85
    styrene 451.53
    dioctyl adipate 304.79
    dimethyl sulfate 718.82
    ethyl butyrate 399.29
    methyl lactate 430.98
    butyl lactate 265.53
    diethyl carbonate 275.16
    propanediol butyl ether 460.71
    triethyl orthoformate 246.85
    p-tert-butyltoluene 140.78
    methyl 4-tert-butylbenzoate 409.81
    morpholine 2365.93
    tert-butylamine 513.07
    n-dodecanol 177.19
    dimethoxymethane 1090.02
    ethylene carbonate 700.24
    cyrene 402.06
    2-ethoxyethyl acetate 486.35
    2-ethylhexyl acetate 315.54
    1,2,4-trichlorobenzene 667.76
    4-methylpyridine 1340.19
    dibutyl ether 443.18
    2,6-dimethyl-4-heptanol 168.1
    DEF 1125.69
    dimethyl isosorbide 639.87
    tetrachloroethylene 1235.54
    eugenol 424.81
    triacetin 498.46
    span 80 366.73
    1,4-butanediol 313.32
    1,1-dichloroethane 1661.36
    2-methyl-1-pentanol 419.54
    methyl formate 822.62
    2-methyl-1-butanol 536.51
    n-decane 82.01
    butyronitrile 835.6
    3,7-dimethyl-1-octanol 292.47
    1-chlorooctane 308.88
    1-chlorotetradecane 121.8
    n-nonane 88.46
    undecane 61.55
    tert-butylcyclohexane 119.94
    cyclooctane 78.1
    cyclopentanol 702.82
    tetrahydropyran 1662.67
    tert-amyl methyl ether 524.52
    2,5,8-trioxanonane 787.22
    1-hexene 556.86
    2-isopropoxyethanol 606.14
    2,2,2-trifluoroethanol 362.18
    methyl butyrate 783.61

    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
Cistus leaf 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 2.2%
Elsholtzia blanda (China) Elsholtzia blanda Benth., fam. Lamiaceae (Labiatae) 1.37%
Cistus (Spain) 1 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 0.25%
Massoia bark Cryptocaryo massoia, fam. Lauraceae 0.01%
Seringat headspace Philadelphus coronarius L., fam. Oleaceae 20.0%
Strobilanthes auriculatus Strobilanthes auriculatus, fam. Acanthaceae 1.5%
Populus deltoides Populus deltoides Bartr. (P. deltoides Marsh.), fam. Salicaceae 0.3%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Pistacia lentiscus (Spain) 1a leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.05%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Elsholtzia blanda (India) Elsholtzia blanda Benth., fam. Lamiaceae (Labiatae) 1.13%
Elsholtzia eriostachya Elsholtzia eriostachya var. pusilla Benth., fam. Lamiaceae (Labiatae) 0.01%
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.01%
Agarwood smoke 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.37%
Cassia, branch & leaf (China) 1a 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.1%
Cassia, bark (China) 1 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Cassia, bark (China) 2 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Lilac, White, Picked Flower Headspace 1 Syringa vulgaris L., fam. Oleaceae 2.14%
Lilac, White, Picked Flower Headspace 2 Syringa vulgaris L., fam. Oleaceae 0.51%
Lilac, Purple, Picked Flower Headspace 3 Syringa vulgaris L., fam. Oleaceae 0.01%
Nepeta cataria 3 (China) 84929-35-1 Nepeta cataria L., fam. Lamiaceae (Labiatae) 0.46%
Cassia, branch & leaf (China) 1b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.1%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Styrax (Honduras) 8024-01-9 Liquidambar styraciflua L., fam. Hamamelidaceae 0.2%
Mandarin (Italy) 7 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutacaea 0.01%
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.2%
Elsholtzia ciliata (Vietnam) Elsholtzia ciliata (Thunb.) Hyland., fam. Lamiaceae (Labiatae) 0.05%
St. John's wort (India) 84082-80-4 Hypericum perforatum L., fam. Guttiferae (Hypericaceae) 0.02%
Aristolochia impudica leaf Aristolochia impudica J. Ortega, fam. Aristolochiaceae 0.01%
Clover, white flower (Austria) Trifolium repens L., fam Liguminosae (Papilionaceae) 1.6%
Clover, red flower (Austria) 85085-25-2 Trifolium pratense L., fam. Leguminosae (Papilionaceae) 2.4%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.17%
Mentha asiatica (Mongolia) Mentha asiatica Borriss, fam. Lamiaceae (Labiatae) 0.7%
Cistus (France) 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 0.2%
Phalaenopsis equestris headspace Phalaenopsis equestris Rehb. f., fam. Orchidaceae 3.0%
Phalaenopsis veichiana headspace Phalaenopsis veitchiana, fam. Orchidaceae 1.4%
Perilla frutescens (China) 2b leaf 90082-61-4 Perilla frutescens (L.) Brit., fam. Lamiaceae (Labiatae) 0.15%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.01%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%
Cassia, bark (China) 5 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.06%
Cassia, bark (China) 4a 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.3%
Cassia, leaf (China) 4b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.05%
Cassia, bark (China) 3b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.08%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 3.0%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.04%
Guava leaf 4 Psidium guajava L., fam. Myrtaceae 0.01%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Rocket leaf 2 headspace Eruca sativa L., fam. Brassicaceae 0.8%
Geneps fruit (Cuba) Melicocca bijuga L., fam. Sapindaceae 0.01%