Rhubafuran

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  • Identifiers

    CAS number
    82461-14-1

    Molecular formula
    C12H16O

    SMILES
    CC1CC(CO1)(C)C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 83.7%
    Floral 80.45%
    Herbal 70.62%
    Fresh 62.21%
    Woody 58.45%
    Citrus 49.61%
    Grapefruit 44.74%
    Earthy 43.59%
    Rose 42.22%
    Leafy 39.64%

     

    Flavor
    Green 47.97%
    Earthy 42.36%
    Woody 40.27%
    Sweet 38.78%
    Spicy 37.22%
    Floral 35.76%
    Herbal 33.94%
    Spice 28.28%
    Musty 27.09%
    Rose 23.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.42 (neutral)

    Molecular weight
    176.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 248.00 to 249.00 °C. @ 760.00 mm Hg

    Flash point

    • 90.97 ˚C est.

  • Synonyms

    • RHUBAFURAN
    • 2,4-Dimethyl-4-phenyltetrahydrofuran
    • 82461-14-1
    • 2,4-dimethyl-4-phenyloxolane
    • Furan, tetrahydro-2,4-dimethyl-4-phenyl-
    • 85JUZ61OL5
    • EINECS 279-967-8
    • Furan, tetrahydro-2,4-dimethyl-4-phenyl-, cis-
    • UNII-85JUZ61OL5
    • 99343-90-5
    • Furan, tetrahydro-2,4-dimethyl-4-phenyl-, (2R,4R)-rel-
    • Furan, tetrahydro-2,4-dimethyl-4-phenyl-, (2R,4S)-rel-
    • DTXSID4051401
    • Furan, tetrahydro-2,4-dimethyl-4-phenyl-, trans-
    • 99343-91-6
    • rhubarb furan
    • SCHEMBL166805
    • DTXCID8030003
    • GPMLJOOQCIHFET-UHFFFAOYSA-
    • CHEBI:168289
    • GPMLJOOQCIHFET-UHFFFAOYSA-N
    • AKOS006274937
    • Tetrahydro-2,4-dimethyl-4-phenyl-Furan
    • NS00012333
    • Tetrahydro-2,4-dimethyl-4-phenyl-Cis-Furan
    • Tetrahydro-2,4-dimethyl-4-phenyl-trans-Furan
    • Tetrahydro-2,4-dimethyl-4-phenyl-(2R,4R)-rel-Furan
    • Tetrahydro-2,4-dimethyl-4-phenyl-(2R,4S)-rel-Furan
    • 279-967-8
    • 639-631-7
    • InChI=1/C12H16O/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

  • Applications

    Rhubafuran (CAS 82461-14-1) is used as a fragrance ingredient and odorant in perfumery, sometimes serving as a fixative to modulate scent duration; in cosmetics and personal care it may be incorporated as a fragrance component; in household products such as cleaners and air fresheners it may function as a fragrance additive; in industrial manufacturing it can act as an intermediate or specialty building block for aroma-related or polymer formulations; in coatings and inks it may be explored as a fragrance additive or processing aid to impart or stabilize odor characteristics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 908.34
    methanol 647.07
    isopropanol 661.94
    water 2.83
    ethyl acetate 984.71
    n-propanol 781.04
    acetone 656.63
    n-butanol 806.16
    acetonitrile 837.83
    DMF 427.9
    toluene 612.48
    isobutanol 576.19
    1,4-dioxane 1931.0
    methyl acetate 786.2
    THF 1341.7
    2-butanone 655.76
    n-pentanol 448.71
    sec-butanol 473.16
    n-hexane 140.77
    ethylene glycol 195.78
    NMP 319.68
    cyclohexane 296.2
    DMSO 385.51
    n-butyl acetate 707.87
    n-octanol 294.28
    chloroform 2577.3
    n-propyl acetate 458.67
    acetic acid 468.45
    dichloromethane 2186.19
    cyclohexanone 814.04
    propylene glycol 259.24
    isopropyl acetate 567.41
    DMAc 391.47
    2-ethoxyethanol 617.78
    isopentanol 617.1
    n-heptane 152.6
    ethyl formate 515.29
    1,2-dichloroethane 1128.68
    n-hexanol 791.22
    2-methoxyethanol 800.21
    isobutyl acetate 376.03
    tetrachloromethane 433.7
    n-pentyl acetate 292.3
    transcutol 1751.5
    n-heptanol 284.29
    ethylbenzene 272.83
    MIBK 433.9
    2-propoxyethanol 974.53
    tert-butanol 684.41
    MTBE 779.79
    2-butoxyethanol 423.91
    propionic acid 451.87
    o-xylene 307.42
    formic acid 145.47
    diethyl ether 1105.52
    m-xylene 364.92
    p-xylene 316.12
    chlorobenzene 664.47
    dimethyl carbonate 257.81
    n-octane 57.08
    formamide 185.04
    cyclopentanone 689.84
    2-pentanone 618.94
    anisole 529.76
    cyclopentyl methyl ether 721.68
    gamma-butyrolactone 765.75
    1-methoxy-2-propanol 622.25
    pyridine 900.45
    3-pentanone 491.69
    furfural 639.64
    n-dodecane 49.76
    diethylene glycol 613.47
    diisopropyl ether 320.81
    tert-amyl alcohol 433.23
    acetylacetone 555.47
    n-hexadecane 56.13
    acetophenone 388.2
    methyl propionate 574.67
    isopentyl acetate 606.5
    trichloroethylene 1611.58
    n-nonanol 248.94
    cyclohexanol 577.49
    benzyl alcohol 361.34
    2-ethylhexanol 426.56
    isooctanol 227.33
    dipropyl ether 620.21
    1,2-dichlorobenzene 537.41
    ethyl lactate 207.45
    propylene carbonate 557.81
    n-methylformamide 296.6
    2-pentanol 465.12
    n-pentane 178.54
    1-propoxy-2-propanol 626.11
    1-methoxy-2-propyl acetate 619.38
    2-(2-methoxypropoxy) propanol 370.7
    mesitylene 237.79
    ε-caprolactone 758.7
    p-cymene 190.98
    epichlorohydrin 1107.68
    1,1,1-trichloroethane 1045.8
    2-aminoethanol 380.48
    morpholine-4-carbaldehyde 660.66
    sulfolane 528.39
    2,2,4-trimethylpentane 76.44
    2-methyltetrahydrofuran 1005.95
    n-hexyl acetate 452.13
    isooctane 76.29
    2-(2-butoxyethoxy)ethanol 561.91
    sec-butyl acetate 363.57
    tert-butyl acetate 509.67
    decalin 111.6
    glycerin 293.27
    diglyme 1019.35
    acrylic acid 336.37
    isopropyl myristate 203.21
    n-butyric acid 720.43
    acetyl acetate 537.81
    di(2-ethylhexyl) phthalate 171.28
    ethyl propionate 431.47
    nitromethane 588.34
    1,2-diethoxyethane 747.45
    benzonitrile 474.09
    trioctyl phosphate 130.37
    1-bromopropane 886.77
    gamma-valerolactone 829.9
    n-decanol 187.68
    triethyl phosphate 190.92
    4-methyl-2-pentanol 299.97
    propionitrile 721.7
    vinylene carbonate 581.81
    1,1,2-trichlorotrifluoroethane 554.75
    DMS 358.08
    cumene 193.65
    2-octanol 173.5
    2-hexanone 422.56
    octyl acetate 234.65
    limonene 270.31
    1,2-dimethoxyethane 892.85
    ethyl orthosilicate 194.4
    tributyl phosphate 167.69
    diacetone alcohol 410.44
    N,N-dimethylaniline 301.33
    acrylonitrile 610.7
    aniline 558.69
    1,3-propanediol 525.27
    bromobenzene 752.48
    dibromomethane 1477.47
    1,1,2,2-tetrachloroethane 1267.89
    2-methyl-cyclohexyl acetate 340.21
    tetrabutyl urea 183.44
    diisobutyl methanol 216.71
    2-phenylethanol 426.07
    styrene 343.57
    dioctyl adipate 233.33
    dimethyl sulfate 246.46
    ethyl butyrate 489.91
    methyl lactate 226.13
    butyl lactate 208.33
    diethyl carbonate 316.57
    propanediol butyl ether 332.89
    triethyl orthoformate 320.69
    p-tert-butyltoluene 188.76
    methyl 4-tert-butylbenzoate 317.22
    morpholine 1516.7
    tert-butylamine 531.24
    n-dodecanol 150.5
    dimethoxymethane 623.13
    ethylene carbonate 571.81
    cyrene 286.06
    2-ethoxyethyl acetate 436.9
    2-ethylhexyl acetate 466.39
    1,2,4-trichlorobenzene 554.2
    4-methylpyridine 779.88
    dibutyl ether 386.44
    2,6-dimethyl-4-heptanol 216.71
    DEF 499.65
    dimethyl isosorbide 533.6
    tetrachloroethylene 830.58
    eugenol 291.92
    triacetin 393.22
    span 80 310.21
    1,4-butanediol 227.73
    1,1-dichloroethane 1214.59
    2-methyl-1-pentanol 379.08
    methyl formate 276.18
    2-methyl-1-butanol 498.58
    n-decane 78.24
    butyronitrile 790.02
    3,7-dimethyl-1-octanol 276.58
    1-chlorooctane 237.8
    1-chlorotetradecane 108.37
    n-nonane 80.0
    undecane 60.23
    tert-butylcyclohexane 103.24
    cyclooctane 112.62
    cyclopentanol 453.88
    tetrahydropyran 1490.06
    tert-amyl methyl ether 462.83
    2,5,8-trioxanonane 617.14
    1-hexene 392.82
    2-isopropoxyethanol 464.61
    2,2,2-trifluoroethanol 201.78
    methyl butyrate 498.75

    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