1-Phenyl-2-butanone

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  • Identifiers

    CAS number
    1007-32-5

    Molecular formula
    C10H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 79.38%
    Floral 67.27%
    Sweet 57.86%
    Green 45.37%
    Honey 43.72%
    Rose 34.9%
    Caramellic 34.68%
    Spicy 33.65%
    Balsamic 32.57%
    Berry 31.59%

     

    Flavor
    Sweet 66.69%
    Floral 62.91%
    Honey 50.45%
    Green 45.94%
    Rose 43.28%
    Balsam 38.6%
    Hyacinth 38.33%
    Fresh 36.4%
    Spicy 35.11%
    Chocolate 33.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.41 (neutral)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point

    • 90.73 ˚C est.

  • Synonyms

    • 1-Phenylbutan-2-one
    • 1-PHENYL-2-BUTANONE
    • 1007-32-5
    • 2-Butanone, 1-phenyl-
    • 1AKG6904VP
    • NSC-133447
    • DTXSID60143462
    • RefChem:76942
    • DTXCID8065953
    • 213-752-1
    • Benzyl ethyl ketone
    • ethyl benzyl ketone
    • MFCD00009315
    • phenylbutanone
    • 1-phenyl-butan-2-one
    • 2-Butanone, phenyl-
    • UNII-1AKG6904VP
    • EINECS 213-752-1
    • 1-(phenyl)-butanone
    • NSC 133447
    • SCHEMBL43241
    • 1-Phenyl-2-butanone, 98%
    • orb3023536
    • SCHEMBL7220376
    • SCHEMBL7320981
    • ALBB-022774
    • NSC133447
    • SBB060892
    • AKOS009031193
    • SY013451
    • CS-0112591
    • NS00015529
    • P0971
    • ST51046989
    • EN300-21394
    • 007P325
    • F226370
    • Q27252157
    • InChI=1/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H
    • 1007-32-5

  • Applications

    1-Phenyl-2-butanone (CAS 1007-32-5) is primarily used as an organic synthesis intermediate; it can serve as a fragrance ingredient in perfumery and personal care products; it is commonly evaluated as a synthetic intermediate in pharmaceutical manufacturing; it can act as a precursor in the production of specialty chemicals for coatings and inks; and it may serve as a building block in industrial manufacturing for the synthesis of more complex aromatic ketones.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 992.56
    methanol 965.94
    isopropanol 744.21
    water 3.85
    ethyl acetate 641.61
    n-propanol 719.26
    acetone 917.79
    n-butanol 639.53
    acetonitrile 1138.66
    DMF 1340.73
    toluene 270.65
    isobutanol 527.79
    1,4-dioxane 1171.56
    methyl acetate 657.85
    THF 778.07
    2-butanone 682.78
    n-pentanol 424.04
    sec-butanol 529.25
    n-hexane 99.26
    ethylene glycol 257.84
    NMP 700.37
    cyclohexane 118.01
    DMSO 1056.89
    n-butyl acetate 494.27
    n-octanol 265.82
    chloroform 2762.36
    n-propyl acetate 361.01
    acetic acid 745.24
    dichloromethane 1994.64
    cyclohexanone 879.41
    propylene glycol 336.06
    isopropyl acetate 307.71
    DMAc 885.15
    2-ethoxyethanol 455.68
    isopentanol 484.06
    n-heptane 72.09
    ethyl formate 506.22
    1,2-dichloroethane 992.74
    n-hexanol 479.73
    2-methoxyethanol 766.84
    isobutyl acetate 229.35
    tetrachloromethane 271.66
    n-pentyl acetate 230.61
    transcutol 1663.68
    n-heptanol 214.31
    ethylbenzene 212.05
    MIBK 287.01
    2-propoxyethanol 574.5
    tert-butanol 693.52
    MTBE 422.18
    2-butoxyethanol 346.45
    propionic acid 659.8
    o-xylene 190.99
    formic acid 217.33
    diethyl ether 535.11
    m-xylene 184.4
    p-xylene 256.52
    chlorobenzene 485.61
    dimethyl carbonate 224.01
    n-octane 33.16
    formamide 341.46
    cyclopentanone 775.22
    2-pentanone 508.2
    anisole 446.72
    cyclopentyl methyl ether 354.13
    gamma-butyrolactone 855.8
    1-methoxy-2-propanol 536.98
    pyridine 947.35
    3-pentanone 381.45
    furfural 831.87
    n-dodecane 32.02
    diethylene glycol 458.9
    diisopropyl ether 127.34
    tert-amyl alcohol 483.54
    acetylacetone 474.36
    n-hexadecane 35.56
    acetophenone 368.7
    methyl propionate 448.97
    isopentyl acetate 387.36
    trichloroethylene 2013.86
    n-nonanol 214.96
    cyclohexanol 452.75
    benzyl alcohol 356.28
    2-ethylhexanol 272.17
    isooctanol 174.85
    dipropyl ether 322.14
    1,2-dichlorobenzene 430.16
    ethyl lactate 202.57
    propylene carbonate 574.77
    n-methylformamide 597.82
    2-pentanol 378.26
    n-pentane 68.78
    1-propoxy-2-propanol 435.1
    1-methoxy-2-propyl acetate 357.96
    2-(2-methoxypropoxy) propanol 359.57
    mesitylene 120.41
    ε-caprolactone 649.79
    p-cymene 126.5
    epichlorohydrin 954.05
    1,1,1-trichloroethane 914.72
    2-aminoethanol 465.34
    morpholine-4-carbaldehyde 808.67
    sulfolane 828.57
    2,2,4-trimethylpentane 35.49
    2-methyltetrahydrofuran 579.72
    n-hexyl acetate 390.1
    isooctane 30.19
    2-(2-butoxyethoxy)ethanol 477.8
    sec-butyl acetate 231.21
    tert-butyl acetate 281.35
    decalin 66.6
    glycerin 370.46
    diglyme 826.51
    acrylic acid 567.47
    isopropyl myristate 165.09
    n-butyric acid 799.31
    acetyl acetate 371.68
    di(2-ethylhexyl) phthalate 152.41
    ethyl propionate 315.42
    nitromethane 1056.49
    1,2-diethoxyethane 504.83
    benzonitrile 552.23
    trioctyl phosphate 112.18
    1-bromopropane 591.64
    gamma-valerolactone 961.15
    n-decanol 164.66
    triethyl phosphate 157.07
    4-methyl-2-pentanol 196.55
    propionitrile 765.45
    vinylene carbonate 612.02
    1,1,2-trichlorotrifluoroethane 671.48
    DMS 321.31
    cumene 151.34
    2-octanol 154.01
    2-hexanone 410.73
    octyl acetate 204.09
    limonene 179.0
    1,2-dimethoxyethane 798.78
    ethyl orthosilicate 146.86
    tributyl phosphate 143.3
    diacetone alcohol 363.24
    N,N-dimethylaniline 285.32
    acrylonitrile 901.39
    aniline 398.47
    1,3-propanediol 541.44
    bromobenzene 511.88
    dibromomethane 1356.28
    1,1,2,2-tetrachloroethane 1551.51
    2-methyl-cyclohexyl acetate 238.28
    tetrabutyl urea 193.07
    diisobutyl methanol 158.23
    2-phenylethanol 310.91
    styrene 304.38
    dioctyl adipate 235.31
    dimethyl sulfate 307.03
    ethyl butyrate 348.75
    methyl lactate 239.33
    butyl lactate 221.42
    diethyl carbonate 259.98
    propanediol butyl ether 369.48
    triethyl orthoformate 221.52
    p-tert-butyltoluene 116.2
    methyl 4-tert-butylbenzoate 294.03
    morpholine 1066.77
    tert-butylamine 445.12
    n-dodecanol 131.86
    dimethoxymethane 516.28
    ethylene carbonate 482.78
    cyrene 262.85
    2-ethoxyethyl acetate 318.76
    2-ethylhexyl acetate 276.88
    1,2,4-trichlorobenzene 467.29
    4-methylpyridine 811.61
    dibutyl ether 314.42
    2,6-dimethyl-4-heptanol 158.23
    DEF 604.86
    dimethyl isosorbide 445.58
    tetrachloroethylene 950.19
    eugenol 301.26
    triacetin 370.3
    span 80 308.34
    1,4-butanediol 244.21
    1,1-dichloroethane 1157.43
    2-methyl-1-pentanol 344.09
    methyl formate 463.98
    2-methyl-1-butanol 448.17
    n-decane 51.14
    butyronitrile 747.81
    3,7-dimethyl-1-octanol 230.25
    1-chlorooctane 193.92
    1-chlorotetradecane 80.24
    n-nonane 52.03
    undecane 39.26
    tert-butylcyclohexane 66.3
    cyclooctane 35.63
    cyclopentanol 424.52
    tetrahydropyran 822.43
    tert-amyl methyl ether 276.12
    2,5,8-trioxanonane 565.45
    1-hexene 365.04
    2-isopropoxyethanol 323.32
    2,2,2-trifluoroethanol 237.59
    methyl butyrate 485.59

    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