Benzylacetone

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  • Identifiers

    CAS number
    2550-26-7

    Molecular formula
    C10H12O

    SMILES
    CC(=O)CCC1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 81.02%
    Fruity 64.83%
    Green 58.11%
    Sweet 56.05%
    Balsamic 49.35%
    Fresh 40.09%
    Jasmin 39.13%
    Honey 35.88%
    Woody 35.43%
    Rose 34.46%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.53 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point est.
    96.89 ˚C

  • Synonyms

    • BENZYLACETONE
    • 4-Phenylbutan-2-one
    • 2550-26-7
    • 4-Phenyl-2-butanone
    • 4-Penylbutan-2-one
    • 2-Butanone, 4-phenyl-
    • 1-Phenyl-3-butanone
    • Methyl phenethyl ketone
    • Phenethyl methyl ketone
    • Benzyl acetone
    • Methyl 2-phenylethyl ketone
    • 4-Phenyl-butan-2-one
    • Methyl phenylethyl ketone
    • NSC 813
    • UNII-UZM5QH16YW
    • UZM5QH16YW
    • EINECS 219-847-4
    • MFCD00008790
    • NSC 44829
    • BRN 1907123
    • DTXSID6033241
    • AI3-15123
    • NSC-813
    • 4-PHENYL BUTANONE
    • NSC-44829
    • 2-Phenylethyl methyl ketone
    • DTXCID4013241
    • EC 219-847-4
    • 4-07-00-00713 (Beilstein Handbook Reference)
    • 1082501-60-7
    • beta-Phenylethyl methyl ketone
    • CAS-2550-26-7
    • 4-phenylbutanone
    • 1Phenyl3butanone
    • 4Phenylbutan2one
    • 2Butanone, 4phenyl
    • 1-phenylbutan-3-one
    • Methyl 2-phenethyl ketone
    • Methyl 2phenylethyl ketone
    • SCHEMBL1346
    • betaPhenylethyl methyl ketone
    • MLS001055395
    • 4-Phenyl-2-butanone, 98%
    • NSC813
    • QSPL 147
    • CHEMBL1490851
    • .beta.-Phenylethyl methyl ketone
    • CHEBI:195507
    • HMS2270M10
    • NSC44829
    • Tox21_201240
    • Tox21_303341
    • BBL011439
    • s9376
    • STL146547
    • AKOS000119009
    • CCG-266189
    • CS-W016332
    • FP32146
    • HY-W015616
    • SB40570
    • NCGC00090923-01
    • NCGC00090923-02
    • NCGC00257254-01
    • NCGC00258792-01
    • 4-Phenyl-2-butanone, analytical standard
    • AS-54099
    • DA-51037
    • SMR000112390
    • SY013502
    • B0405
    • NS00007656
    • EN300-19146
    • A25848
    • P17497
    • Q410405
    • F0001-0855
    • 1-Phenyl-3-butanone;2-Butanone, 4-phenyl-;4-Phenyl-2-butanoine
    • 801-687-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1099.09
    methanol 1188.86
    isopropanol 710.57
    water 4.35
    ethyl acetate 996.69
    n-propanol 759.04
    acetone 1202.72
    n-butanol 566.19
    acetonitrile 1323.32
    DMF 1096.11
    toluene 253.91
    isobutanol 436.49
    1,4-dioxane 1475.7
    methyl acetate 1028.38
    THF 765.26
    2-butanone 899.53
    n-pentanol 409.83
    sec-butanol 539.46
    n-hexane 66.26
    ethylene glycol 360.71
    NMP 601.97
    cyclohexane 52.6
    DMSO 1154.54
    n-butyl acetate 372.58
    n-octanol 164.98
    chloroform 2082.41
    n-propyl acetate 401.93
    acetic acid 745.04
    dichloromethane 1553.59
    cyclohexanone 693.11
    propylene glycol 530.55
    isopropyl acetate 372.01
    DMAc 959.14
    2-ethoxyethanol 646.66
    isopentanol 413.5
    n-heptane 35.98
    ethyl formate 433.97
    1,2-dichloroethane 867.37
    n-hexanol 391.71
    2-methoxyethanol 996.35
    isobutyl acetate 227.39
    tetrachloromethane 207.75
    n-pentyl acetate 173.84
    transcutol 2403.09
    n-heptanol 147.8
    ethylbenzene 171.33
    MIBK 255.4
    2-propoxyethanol 629.92
    tert-butanol 642.05
    MTBE 463.13
    2-butoxyethanol 312.81
    propionic acid 750.43
    o-xylene 165.12
    formic acid 284.84
    diethyl ether 712.48
    m-xylene 155.61
    p-xylene 190.96
    chlorobenzene 378.46
    dimethyl carbonate 256.73
    n-octane 13.73
    formamide 458.54
    cyclopentanone 718.33
    2-pentanone 556.83
    anisole 461.16
    cyclopentyl methyl ether 358.34
    gamma-butyrolactone 859.63
    1-methoxy-2-propanol 674.11
    pyridine 918.75
    3-pentanone 477.55
    furfural 748.41
    n-dodecane 12.74
    diethylene glycol 523.39
    diisopropyl ether 130.37
    tert-amyl alcohol 477.14
    acetylacetone 564.53
    n-hexadecane 14.23
    acetophenone 332.03
    methyl propionate 671.18
    isopentyl acetate 307.89
    trichloroethylene 1698.71
    n-nonanol 139.09
    cyclohexanol 329.19
    benzyl alcohol 342.69
    2-ethylhexanol 211.89
    isooctanol 115.13
    dipropyl ether 279.66
    1,2-dichlorobenzene 321.7
    ethyl lactate 196.86
    propylene carbonate 461.86
    n-methylformamide 641.69
    2-pentanol 332.95
    n-pentane 36.86
    1-propoxy-2-propanol 411.55
    1-methoxy-2-propyl acetate 379.23
    2-(2-methoxypropoxy) propanol 339.59
    mesitylene 89.49
    ε-caprolactone 570.46
    p-cymene 83.48
    epichlorohydrin 1048.0
    1,1,1-trichloroethane 767.22
    2-aminoethanol 617.78
    morpholine-4-carbaldehyde 919.11
    sulfolane 719.87
    2,2,4-trimethylpentane 22.63
    2-methyltetrahydrofuran 628.11
    n-hexyl acetate 302.89
    isooctane 16.93
    2-(2-butoxyethoxy)ethanol 497.33
    sec-butyl acetate 241.14
    tert-butyl acetate 324.79
    decalin 42.7
    glycerin 528.74
    diglyme 857.6
    acrylic acid 614.35
    isopropyl myristate 112.32
    n-butyric acid 717.86
    acetyl acetate 445.56
    di(2-ethylhexyl) phthalate 113.97
    ethyl propionate 371.79
    nitromethane 1253.12
    1,2-diethoxyethane 581.9
    benzonitrile 411.29
    trioctyl phosphate 77.69
    1-bromopropane 487.8
    gamma-valerolactone 989.32
    n-decanol 104.81
    triethyl phosphate 123.21
    4-methyl-2-pentanol 162.16
    propionitrile 750.02
    vinylene carbonate 467.71
    1,1,2-trichlorotrifluoroethane 721.12
    DMS 344.55
    cumene 111.67
    2-octanol 90.99
    2-hexanone 383.96
    octyl acetate 144.45
    limonene 118.75
    1,2-dimethoxyethane 841.56
    ethyl orthosilicate 122.34
    tributyl phosphate 108.27
    diacetone alcohol 406.23
    N,N-dimethylaniline 253.26
    acrylonitrile 886.54
    aniline 428.84
    1,3-propanediol 575.25
    bromobenzene 377.22
    dibromomethane 1002.19
    1,1,2,2-tetrachloroethane 1279.29
    2-methyl-cyclohexyl acetate 191.64
    tetrabutyl urea 134.27
    diisobutyl methanol 112.84
    2-phenylethanol 270.56
    styrene 245.92
    dioctyl adipate 173.54
    dimethyl sulfate 353.73
    ethyl butyrate 278.72
    methyl lactate 285.92
    butyl lactate 179.22
    diethyl carbonate 202.79
    propanediol butyl ether 348.97
    triethyl orthoformate 181.9
    p-tert-butyltoluene 78.97
    methyl 4-tert-butylbenzoate 237.52
    morpholine 1409.88
    tert-butylamine 381.82
    n-dodecanol 80.38
    dimethoxymethane 547.63
    ethylene carbonate 393.07
    cyrene 245.85
    2-ethoxyethyl acetate 321.6
    2-ethylhexyl acetate 226.61
    1,2,4-trichlorobenzene 385.67
    4-methylpyridine 724.31
    dibutyl ether 238.91
    2,6-dimethyl-4-heptanol 112.84
    DEF 604.19
    dimethyl isosorbide 413.48
    tetrachloroethylene 804.86
    eugenol 248.39
    triacetin 370.57
    span 80 271.64
    1,4-butanediol 266.91
    1,1-dichloroethane 977.54
    2-methyl-1-pentanol 318.68
    methyl formate 440.97
    2-methyl-1-butanol 394.79
    n-decane 21.83
    butyronitrile 567.31
    3,7-dimethyl-1-octanol 166.15
    1-chlorooctane 105.91
    1-chlorotetradecane 40.28
    n-nonane 21.65
    undecane 15.93
    tert-butylcyclohexane 43.53
    cyclooctane 18.42
    cyclopentanol 320.83
    tetrahydropyran 844.45
    tert-amyl methyl ether 310.56
    2,5,8-trioxanonane 564.01
    1-hexene 281.16
    2-isopropoxyethanol 421.04
    2,2,2-trifluoroethanol 248.08
    methyl butyrate 459.06

    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
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.24%
Agarwood smoke 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 2.36%
Desmos wardianus leaf (Australia) Desmos wardianus (F.M. Bailey) L.W. Jessup, fam. Annonaceae 0.2%