3-Methyl-1-(3-methylfuran-2-yl)but-2-en-1-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    6138-88-1

    Molecular formula
    C10H12O2

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

  • Odor profile

    Sweet 56.83%
    Nutty 51.05%
    Herbal 50.13%
    Mint 47.92%
    Caramellic 47.45%
    Spicy 43.6%
    Roasted 39.89%
    Musty 38.26%
    Woody 37.69%
    Tobacco 36.26%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point est.
    90.42 ˚C

  • Synonyms

    • Naginata ketone
    • 6138-88-1
    • 3-methyl-1-(3-methylfuran-2-yl)but-2-en-1-one
    • Elsholtzione, .alpha.-dehydro
    • Naginataketone
    • Dehydroelsholtzia ketone
    • 1-(3-Methyl-2-furanyl)-3-methyl-2-buten-1-one
    • DTXSID20340399
    • XWFVDCOWPBJQFH-UHFFFAOYSA-N
    • GAA13888
    • AKOS040762986
    • 3-methyl-2-(3-methylbut-2-enoyl)furan
    • DA-65913
    • HY-125914
    • CS-0103014
    • 3-Methyl-1-(3-methyl-2-furyl)-2-buten-1-one #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 581.3
    methanol 670.99
    isopropanol 487.53
    water 4.63
    ethyl acetate 233.44
    n-propanol 495.87
    acetone 408.07
    n-butanol 565.51
    acetonitrile 382.48
    DMF 915.08
    toluene 290.91
    isobutanol 387.41
    1,4-dioxane 567.05
    methyl acetate 288.57
    THF 747.63
    2-butanone 361.8
    n-pentanol 348.73
    sec-butanol 529.81
    n-hexane 55.56
    ethylene glycol 126.11
    NMP 507.2
    cyclohexane 122.51
    DMSO 332.35
    n-butyl acetate 235.55
    n-octanol 240.69
    chloroform 1000.8
    n-propyl acetate 170.51
    acetic acid 425.63
    dichloromethane 782.21
    cyclohexanone 539.1
    propylene glycol 209.79
    isopropyl acetate 138.91
    DMAc 511.78
    2-ethoxyethanol 318.01
    isopentanol 381.0
    n-heptane 58.7
    ethyl formate 339.11
    1,2-dichloroethane 365.32
    n-hexanol 394.58
    2-methoxyethanol 604.12
    isobutyl acetate 117.66
    tetrachloromethane 149.26
    n-pentyl acetate 154.03
    transcutol 533.23
    n-heptanol 206.34
    ethylbenzene 177.48
    MIBK 166.95
    2-propoxyethanol 382.52
    tert-butanol 416.81
    MTBE 232.22
    2-butoxyethanol 254.82
    propionic acid 277.35
    o-xylene 171.04
    formic acid 167.99
    diethyl ether 224.12
    m-xylene 181.5
    p-xylene 227.94
    chlorobenzene 331.62
    dimethyl carbonate 126.6
    n-octane 32.42
    formamide 275.57
    cyclopentanone 496.46
    2-pentanone 271.67
    anisole 265.67
    cyclopentyl methyl ether 281.18
    gamma-butyrolactone 485.07
    1-methoxy-2-propanol 400.8
    pyridine 613.72
    3-pentanone 190.24
    furfural 567.33
    n-dodecane 30.22
    diethylene glycol 288.02
    diisopropyl ether 67.29
    tert-amyl alcohol 397.91
    acetylacetone 226.52
    n-hexadecane 33.48
    acetophenone 228.77
    methyl propionate 212.25
    isopentyl acetate 205.38
    trichloroethylene 766.57
    n-nonanol 192.45
    cyclohexanol 465.02
    benzyl alcohol 285.47
    2-ethylhexanol 219.09
    isooctanol 146.41
    dipropyl ether 155.54
    1,2-dichlorobenzene 255.69
    ethyl lactate 126.45
    propylene carbonate 382.71
    n-methylformamide 392.78
    2-pentanol 337.96
    n-pentane 64.81
    1-propoxy-2-propanol 287.44
    1-methoxy-2-propyl acetate 185.38
    2-(2-methoxypropoxy) propanol 213.2
    mesitylene 103.25
    ε-caprolactone 400.93
    p-cymene 114.94
    epichlorohydrin 535.27
    1,1,1-trichloroethane 401.89
    2-aminoethanol 275.59
    morpholine-4-carbaldehyde 487.28
    sulfolane 420.58
    2,2,4-trimethylpentane 38.4
    2-methyltetrahydrofuran 485.37
    n-hexyl acetate 253.8
    isooctane 26.86
    2-(2-butoxyethoxy)ethanol 305.09
    sec-butyl acetate 116.48
    tert-butyl acetate 151.93
    decalin 54.22
    glycerin 233.46
    diglyme 450.06
    acrylic acid 235.84
    isopropyl myristate 106.41
    n-butyric acid 423.86
    acetyl acetate 143.64
    di(2-ethylhexyl) phthalate 112.65
    ethyl propionate 156.52
    nitromethane 500.7
    1,2-diethoxyethane 198.59
    benzonitrile 365.18
    trioctyl phosphate 86.36
    1-bromopropane 298.74
    gamma-valerolactone 594.89
    n-decanol 145.97
    triethyl phosphate 96.67
    4-methyl-2-pentanol 152.33
    propionitrile 360.8
    vinylene carbonate 374.39
    1,1,2-trichlorotrifluoroethane 371.09
    DMS 150.98
    cumene 114.38
    2-octanol 164.81
    2-hexanone 212.84
    octyl acetate 143.87
    limonene 148.01
    1,2-dimethoxyethane 528.64
    ethyl orthosilicate 95.17
    tributyl phosphate 96.79
    diacetone alcohol 236.23
    N,N-dimethylaniline 177.72
    acrylonitrile 403.36
    aniline 326.85
    1,3-propanediol 414.01
    bromobenzene 327.07
    dibromomethane 559.99
    1,1,2,2-tetrachloroethane 598.65
    2-methyl-cyclohexyl acetate 161.01
    tetrabutyl urea 136.91
    diisobutyl methanol 110.6
    2-phenylethanol 267.79
    styrene 207.34
    dioctyl adipate 150.9
    dimethyl sulfate 139.64
    ethyl butyrate 185.04
    methyl lactate 151.12
    butyl lactate 150.94
    diethyl carbonate 146.31
    propanediol butyl ether 266.48
    triethyl orthoformate 134.2
    p-tert-butyltoluene 108.39
    methyl 4-tert-butylbenzoate 178.24
    morpholine 666.28
    tert-butylamine 284.33
    n-dodecanol 114.64
    dimethoxymethane 380.14
    ethylene carbonate 296.06
    cyrene 220.77
    2-ethoxyethyl acetate 166.56
    2-ethylhexyl acetate 167.03
    1,2,4-trichlorobenzene 286.61
    4-methylpyridine 579.46
    dibutyl ether 174.12
    2,6-dimethyl-4-heptanol 110.6
    DEF 304.5
    dimethyl isosorbide 288.29
    tetrachloroethylene 369.07
    eugenol 198.72
    triacetin 169.13
    span 80 222.68
    1,4-butanediol 188.72
    1,1-dichloroethane 439.75
    2-methyl-1-pentanol 303.68
    methyl formate 338.22
    2-methyl-1-butanol 413.07
    n-decane 45.16
    butyronitrile 500.75
    3,7-dimethyl-1-octanol 184.38
    1-chlorooctane 134.37
    1-chlorotetradecane 61.89
    n-nonane 45.27
    undecane 36.28
    tert-butylcyclohexane 46.1
    cyclooctane 39.44
    cyclopentanol 430.02
    tetrahydropyran 532.57
    tert-amyl methyl ether 200.71
    2,5,8-trioxanonane 315.44
    1-hexene 167.36
    2-isopropoxyethanol 215.57
    2,2,2-trifluoroethanol 147.12
    methyl butyrate 241.91

    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
Perilla frutescens (Japan) 2 90082-61-4 Perilla frutescens Brit. (P. nankinensis x P frutescens), fam. Lamiaceae 36.75%
Perilla frutescens (Japan) 1 90082-61-4 Perilla frutescens Brit. (P. nankinensis Decne), fam. Lamiaceae (Labiatae) 49.7%