1-((2R,5R)-5-Methyl-5-vinyltetrahydrofuran-2-yl)ethanone

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C9H14O2

    SMILES
    CC(=O)[C@H]1CC[C@@](O1)(C)C=C

  • Odor profile

    Floral 66.31%
    Sweet 54.81%
    Mint 49.16%
    Herbal 49.03%
    Green 47.12%
    Woody 45.71%
    Fresh 41.08%
    Earthy 34.8%
    Spicy 33.75%
    Hay 32.8%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    202°C

    Flash point est.
    73.94 ˚C

  • Synonyms

    • trans-Arbusculone
    • SCHEMBL11292426
    • FBFSXARBCWGXJL-RKDXNWHRSA-N
    • trans-2-Methyl-2-vinyl-5-acetyltetrahydrofuran
    • Q67880122
    • 1-((2R,5R)-5-Methyl-5-vinyltetrahydrofuran-2-yl)ethanone
    • Ethanone, 1-(5-ethenyltetrahydro-5-methyl-2-furanyl)-, trans-
    • Ethanone, 1-[(2R,5R)-5-ethenyltetrahydro-5-methyl-2-furanyl]-, rel-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 606.83
    methanol 864.03
    isopropanol 554.31
    water 29.56
    ethyl acetate 338.28
    n-propanol 499.26
    acetone 371.05
    n-butanol 435.52
    acetonitrile 515.36
    DMF 580.73
    toluene 277.18
    isobutanol 398.28
    1,4-dioxane 758.11
    methyl acetate 423.24
    THF 619.98
    2-butanone 368.32
    n-pentanol 300.92
    sec-butanol 463.14
    n-hexane 36.23
    ethylene glycol 247.31
    NMP 436.06
    cyclohexane 75.14
    DMSO 422.85
    n-butyl acetate 204.81
    n-octanol 216.1
    chloroform 1255.92
    n-propyl acetate 164.97
    acetic acid 307.84
    dichloromethane 1055.34
    cyclohexanone 428.78
    propylene glycol 319.02
    isopropyl acetate 212.28
    DMAc 621.72
    2-ethoxyethanol 440.87
    isopentanol 374.85
    n-heptane 36.88
    ethyl formate 288.29
    1,2-dichloroethane 428.47
    n-hexanol 347.95
    2-methoxyethanol 680.55
    isobutyl acetate 124.19
    tetrachloromethane 210.53
    n-pentyl acetate 154.37
    transcutol 794.92
    n-heptanol 169.41
    ethylbenzene 163.3
    MIBK 211.09
    2-propoxyethanol 488.52
    tert-butanol 584.77
    MTBE 363.68
    2-butoxyethanol 268.5
    propionic acid 331.44
    o-xylene 220.07
    formic acid 212.33
    diethyl ether 297.96
    m-xylene 212.8
    p-xylene 237.31
    chlorobenzene 296.46
    dimethyl carbonate 141.62
    n-octane 22.17
    formamide 275.48
    cyclopentanone 400.07
    2-pentanone 265.67
    anisole 327.86
    cyclopentyl methyl ether 296.4
    gamma-butyrolactone 430.6
    1-methoxy-2-propanol 499.19
    pyridine 403.36
    3-pentanone 223.35
    furfural 527.34
    n-dodecane 27.16
    diethylene glycol 455.55
    diisopropyl ether 108.21
    tert-amyl alcohol 436.84
    acetylacetone 322.27
    n-hexadecane 29.93
    acetophenone 272.54
    methyl propionate 272.79
    isopentyl acetate 201.6
    trichloroethylene 741.01
    n-nonanol 178.08
    cyclohexanol 361.39
    benzyl alcohol 285.56
    2-ethylhexanol 189.94
    isooctanol 134.05
    dipropyl ether 147.12
    1,2-dichlorobenzene 287.67
    ethyl lactate 137.57
    propylene carbonate 299.07
    n-methylformamide 349.37
    2-pentanol 290.02
    n-pentane 50.69
    1-propoxy-2-propanol 315.25
    1-methoxy-2-propyl acetate 250.81
    2-(2-methoxypropoxy) propanol 289.62
    mesitylene 133.23
    ε-caprolactone 390.51
    p-cymene 122.16
    epichlorohydrin 532.33
    1,1,1-trichloroethane 509.19
    2-aminoethanol 404.98
    morpholine-4-carbaldehyde 604.3
    sulfolane 439.98
    2,2,4-trimethylpentane 41.57
    2-methyltetrahydrofuran 458.97
    n-hexyl acetate 270.03
    isooctane 29.68
    2-(2-butoxyethoxy)ethanol 358.03
    sec-butyl acetate 138.88
    tert-butyl acetate 219.52
    decalin 49.44
    glycerin 356.35
    diglyme 598.42
    acrylic acid 283.4
    isopropyl myristate 123.26
    n-butyric acid 342.44
    acetyl acetate 236.12
    di(2-ethylhexyl) phthalate 128.8
    ethyl propionate 172.06
    nitromethane 508.06
    1,2-diethoxyethane 279.81
    benzonitrile 338.56
    trioctyl phosphate 94.19
    1-bromopropane 325.65
    gamma-valerolactone 571.28
    n-decanol 133.99
    triethyl phosphate 112.17
    4-methyl-2-pentanol 191.73
    propionitrile 390.76
    vinylene carbonate 324.03
    1,1,2-trichlorotrifluoroethane 412.77
    DMS 220.75
    cumene 135.54
    2-octanol 132.88
    2-hexanone 195.06
    octyl acetate 151.99
    limonene 154.08
    1,2-dimethoxyethane 570.03
    ethyl orthosilicate 106.88
    tributyl phosphate 110.93
    diacetone alcohol 279.87
    N,N-dimethylaniline 235.14
    acrylonitrile 422.93
    aniline 310.92
    1,3-propanediol 434.4
    bromobenzene 309.91
    dibromomethane 621.16
    1,1,2,2-tetrachloroethane 609.7
    2-methyl-cyclohexyl acetate 170.91
    tetrabutyl urea 136.31
    diisobutyl methanol 121.13
    2-phenylethanol 275.42
    styrene 189.71
    dioctyl adipate 161.5
    dimethyl sulfate 220.89
    ethyl butyrate 180.66
    methyl lactate 188.32
    butyl lactate 140.2
    diethyl carbonate 146.32
    propanediol butyl ether 261.4
    triethyl orthoformate 135.09
    p-tert-butyltoluene 115.76
    methyl 4-tert-butylbenzoate 230.27
    morpholine 674.33
    tert-butylamine 380.25
    n-dodecanol 107.4
    dimethoxymethane 384.37
    ethylene carbonate 261.39
    cyrene 238.72
    2-ethoxyethyl acetate 219.6
    2-ethylhexyl acetate 155.4
    1,2,4-trichlorobenzene 337.34
    4-methylpyridine 467.36
    dibutyl ether 162.56
    2,6-dimethyl-4-heptanol 121.13
    DEF 318.35
    dimethyl isosorbide 379.69
    tetrachloroethylene 394.72
    eugenol 238.51
    triacetin 257.87
    span 80 227.37
    1,4-butanediol 229.42
    1,1-dichloroethane 555.09
    2-methyl-1-pentanol 282.33
    methyl formate 275.3
    2-methyl-1-butanol 358.51
    n-decane 39.82
    butyronitrile 385.56
    3,7-dimethyl-1-octanol 204.18
    1-chlorooctane 129.12
    1-chlorotetradecane 61.06
    n-nonane 37.35
    undecane 31.81
    tert-butylcyclohexane 51.52
    cyclooctane 29.21
    cyclopentanol 367.58
    tetrahydropyran 460.97
    tert-amyl methyl ether 262.73
    2,5,8-trioxanonane 435.54
    1-hexene 126.12
    2-isopropoxyethanol 307.76
    2,2,2-trifluoroethanol 177.06
    methyl butyrate 220.34

    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
Armoise (Spain) ssp. valentina 8008-93-3 Artemisia herba-alba Asso ssp. valentina (Lam.) Marcl., fam. Asteraceae 0.3%