1-(3-Methyl-2-benzofuran-1-yl)ethanone

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C11H10O2

    SMILES
    CC1=C2C=CC=CC2=C(O1)C(=O)C

  • Odor profile

    Floral 81.31%
    Sweet 55.02%
    Powdery 48.72%
    Neroli 48.17%
    Coumarinic 40.4%
    Honey 38.59%
    Hay 38.31%
    Nutty 34.36%
    Hawthorn 33.1%
    Vanilla 32.46%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    174.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    277°C

    Flash point est.
    115.07 ˚C

  • Synonyms

    • SCHEMBL114253

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 300.04
    methanol 463.02
    isopropanol 210.47
    water 6.12
    ethyl acetate 618.31
    n-propanol 248.92
    acetone 902.34
    n-butanol 221.12
    acetonitrile 562.48
    DMF 1540.08
    toluene 401.11
    isobutanol 188.62
    1,4-dioxane 1028.43
    methyl acetate 752.52
    THF 1091.31
    2-butanone 613.63
    n-pentanol 172.59
    sec-butanol 211.6
    n-hexane 60.56
    ethylene glycol 162.95
    NMP 780.09
    cyclohexane 103.24
    DMSO 866.93
    n-butyl acetate 382.78
    n-octanol 208.77
    chloroform 1441.82
    n-propyl acetate 394.78
    acetic acid 230.97
    dichloromethane 1899.84
    cyclohexanone 724.58
    propylene glycol 100.63
    isopropyl acetate 300.07
    DMAc 931.03
    2-ethoxyethanol 371.97
    isopentanol 163.84
    n-heptane 61.95
    ethyl formate 578.27
    1,2-dichloroethane 1087.27
    n-hexanol 220.18
    2-methoxyethanol 611.29
    isobutyl acetate 238.59
    tetrachloromethane 252.41
    n-pentyl acetate 313.12
    transcutol 474.82
    n-heptanol 152.34
    ethylbenzene 277.97
    MIBK 264.31
    2-propoxyethanol 408.37
    tert-butanol 221.79
    MTBE 276.54
    2-butoxyethanol 240.26
    propionic acid 274.97
    o-xylene 276.13
    formic acid 109.91
    diethyl ether 420.8
    m-xylene 287.56
    p-xylene 356.11
    chlorobenzene 509.89
    dimethyl carbonate 465.71
    n-octane 51.68
    formamide 291.86
    cyclopentanone 963.47
    2-pentanone 498.31
    anisole 478.56
    cyclopentyl methyl ether 487.49
    gamma-butyrolactone 1072.38
    1-methoxy-2-propanol 377.02
    pyridine 743.83
    3-pentanone 462.2
    furfural 831.5
    n-dodecane 50.73
    diethylene glycol 385.16
    diisopropyl ether 127.87
    tert-amyl alcohol 191.98
    acetylacetone 611.55
    n-hexadecane 57.88
    acetophenone 404.3
    methyl propionate 602.16
    isopentyl acetate 286.12
    trichloroethylene 1518.24
    n-nonanol 178.33
    cyclohexanol 235.62
    benzyl alcohol 299.77
    2-ethylhexanol 162.91
    isooctanol 127.34
    dipropyl ether 255.47
    1,2-dichlorobenzene 454.85
    ethyl lactate 201.63
    propylene carbonate 570.51
    n-methylformamide 716.28
    2-pentanol 153.79
    n-pentane 53.47
    1-propoxy-2-propanol 256.62
    1-methoxy-2-propyl acetate 341.34
    2-(2-methoxypropoxy) propanol 229.34
    mesitylene 177.25
    ε-caprolactone 590.95
    p-cymene 153.23
    epichlorohydrin 1217.9
    1,1,1-trichloroethane 688.77
    2-aminoethanol 174.78
    morpholine-4-carbaldehyde 877.24
    sulfolane 832.11
    2,2,4-trimethylpentane 29.47
    2-methyltetrahydrofuran 633.01
    n-hexyl acetate 414.92
    isooctane 24.08
    2-(2-butoxyethoxy)ethanol 304.12
    sec-butyl acetate 226.46
    tert-butyl acetate 269.14
    decalin 65.55
    glycerin 155.37
    diglyme 631.16
    acrylic acid 254.0
    isopropyl myristate 186.89
    n-butyric acid 292.19
    acetyl acetate 341.46
    di(2-ethylhexyl) phthalate 142.12
    ethyl propionate 410.12
    nitromethane 797.56
    1,2-diethoxyethane 347.0
    benzonitrile 428.18
    trioctyl phosphate 125.91
    1-bromopropane 510.36
    gamma-valerolactone 1005.34
    n-decanol 145.87
    triethyl phosphate 154.91
    4-methyl-2-pentanol 94.91
    propionitrile 434.73
    vinylene carbonate 647.89
    1,1,2-trichlorotrifluoroethane 427.34
    DMS 438.21
    cumene 178.27
    2-octanol 146.44
    2-hexanone 343.4
    octyl acetate 244.2
    limonene 180.07
    1,2-dimethoxyethane 868.24
    ethyl orthosilicate 138.58
    tributyl phosphate 153.51
    diacetone alcohol 252.75
    N,N-dimethylaniline 313.97
    acrylonitrile 599.47
    aniline 308.61
    1,3-propanediol 229.84
    bromobenzene 566.31
    dibromomethane 1095.78
    1,1,2,2-tetrachloroethane 995.2
    2-methyl-cyclohexyl acetate 214.31
    tetrabutyl urea 212.12
    diisobutyl methanol 100.86
    2-phenylethanol 276.67
    styrene 327.82
    dioctyl adipate 231.84
    dimethyl sulfate 555.33
    ethyl butyrate 317.16
    methyl lactate 259.67
    butyl lactate 190.13
    diethyl carbonate 259.46
    propanediol butyl ether 199.39
    triethyl orthoformate 186.5
    p-tert-butyltoluene 135.43
    methyl 4-tert-butylbenzoate 292.41
    morpholine 756.84
    tert-butylamine 159.78
    n-dodecanol 124.18
    dimethoxymethane 976.16
    ethylene carbonate 560.72
    cyrene 235.7
    2-ethoxyethyl acetate 366.19
    2-ethylhexyl acetate 241.96
    1,2,4-trichlorobenzene 438.25
    4-methylpyridine 711.8
    dibutyl ether 263.61
    2,6-dimethyl-4-heptanol 100.86
    DEF 600.97
    dimethyl isosorbide 396.3
    tetrachloroethylene 746.74
    eugenol 312.48
    triacetin 320.54
    span 80 184.69
    1,4-butanediol 139.33
    1,1-dichloroethane 804.47
    2-methyl-1-pentanol 153.39
    methyl formate 862.23
    2-methyl-1-butanol 173.97
    n-decane 72.31
    butyronitrile 406.62
    3,7-dimethyl-1-octanol 153.1
    1-chlorooctane 210.41
    1-chlorotetradecane 103.39
    n-nonane 73.19
    undecane 59.22
    tert-butylcyclohexane 56.69
    cyclooctane 46.01
    cyclopentanol 284.02
    tetrahydropyran 623.91
    tert-amyl methyl ether 226.22
    2,5,8-trioxanonane 402.72
    1-hexene 170.08
    2-isopropoxyethanol 255.66
    2,2,2-trifluoroethanol 166.27
    methyl butyrate 541.01

    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