Rhubofix

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  • Identifiers

    CAS number
    41816-03-9

    Molecular formula
    C14H20O

    SMILES
    CC1C2(O1)CC3CC2C4C3CC=C(C4)C

  • Odor profile

    Fragrance
    Fruity 84.01%
    Floral 70.09%
    Woody 64.82%
    Herbal 50.27%
    Fresh 45.83%
    Spicy 41.45%
    Green 38.9%
    Jasmin 34.78%
    Tropical 34.62%
    Grapefruit 31.54%

     

    Flavor
    Fruity 35.28%
    Bitter 31.54%
    Herbal 28.83%
    Herb 28.49%
    Fruit 28.04%
    Earthy 28.02%
    Wood 24.08%
    Sweet 23.36%
    Alkaline 23.32%
    Cedarleaf 22.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.21 (weak base)

    Molecular weight
    204.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    282°C

    Flash point

    • 94.54 ˚C est.

  • Synonyms

    • Rhubofix
    • 41816-03-9
    • Spiro(1,4-methanonaphthalene-2(1H),2'-oxirane), 3,4,4a,5,8,8a-hexahydro-3',7-dimethyl-
    • EINECS 255-560-0
    • DTXSID6052089
    • 3,4'-dimethylspiro[oxirane-2,10'-tricyclo[6.2.1.02,7]undec-4-ene]
    • 3,4,4a,5,8,8a-Hexahydro-3',7'-dimethylspiro[1,4-methanonaphthalene-2(1H),2'-oxirane]
    • 3,4,4a,5,8,8a-Hexahydro-3',7-dimethylspiro[1,4-methanonaphthalene-2(1H),2'-oxirane]
    • 3,4,4a,5,8,8a-Hexahydro-3',7 (or 6)-dimethylspiro(1,4-methanonaphthalene-2(1H),2'-oxirane)
    • Spiro[1,4-methanonaphthalene-2(1H),2'-oxirane], 3,4,4a,5,8,8a-hexahydro-3',7-dimethyl-
    • 3,4,4a,5,8,8a-Hexahydro-3',7'-dimethylspiro(1,4-methanonaphthalene-2(1H),2'-oxirane)
    • rhubarb oxirane
    • 3,4,4a,5,8,8a-Hexahydro-3',7-dimethylspiro(1,4-methanonaphthalene-2(1H),2'-oxirane)
    • SCHEMBL3504089
    • DTXCID1030656
    • VKPRTBDRPNWOGL-UHFFFAOYSA-N
    • RBA81603
    • NS00012538
    • 255-560-0

  • Applications

    Rhubofix is primarily used as a fragrance ingredient and fixative in perfumery, contributing a rhubarb-like aroma and helping to prolong fragrance notes. In cosmetics and personal care, it is commonly incorporated as a scent component in products such as creams, lotions, and bath items to impart lasting fragrance. In household products, Rhubofix may serve as a fragrance additive in cleaners and detergents. It can also be considered as an odorant component for coatings, inks, and related formulations. In industrial manufacturing, it may function as an intermediate or processing aid in certain formulations, subject to local regulations and formulation limits. CAS 41816-03-9.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 301.9
    methanol 252.11
    isopropanol 285.01
    water 1.88
    ethyl acetate 402.09
    n-propanol 275.27
    acetone 348.57
    n-butanol 313.21
    acetonitrile 243.73
    DMF 162.25
    toluene 470.83
    isobutanol 198.53
    1,4-dioxane 825.36
    methyl acetate 283.21
    THF 794.48
    2-butanone 284.68
    n-pentanol 126.53
    sec-butanol 155.48
    n-hexane 25.08
    ethylene glycol 62.07
    NMP 102.62
    cyclohexane 96.04
    DMSO 129.77
    n-butyl acetate 225.29
    n-octanol 78.63
    chloroform 1100.09
    n-propyl acetate 165.81
    acetic acid 184.07
    dichloromethane 739.08
    cyclohexanone 356.43
    propylene glycol 72.31
    isopropyl acetate 317.01
    DMAc 157.58
    2-ethoxyethanol 213.77
    isopentanol 268.39
    n-heptane 26.29
    ethyl formate 177.05
    1,2-dichloroethane 388.16
    n-hexanol 193.44
    2-methoxyethanol 434.02
    isobutyl acetate 146.32
    tetrachloromethane 162.08
    n-pentyl acetate 128.85
    transcutol 889.54
    n-heptanol 91.23
    ethylbenzene 140.94
    MIBK 247.07
    2-propoxyethanol 378.08
    tert-butanol 222.09
    MTBE 271.95
    2-butoxyethanol 197.65
    propionic acid 149.58
    o-xylene 189.01
    formic acid 73.31
    diethyl ether 471.81
    m-xylene 265.49
    p-xylene 163.81
    chlorobenzene 303.05
    dimethyl carbonate 137.44
    n-octane 11.95
    formamide 120.52
    cyclopentanone 335.23
    2-pentanone 294.96
    anisole 250.61
    cyclopentyl methyl ether 325.99
    gamma-butyrolactone 302.36
    1-methoxy-2-propanol 341.07
    pyridine 510.8
    3-pentanone 213.19
    furfural 286.54
    n-dodecane 12.46
    diethylene glycol 282.12
    diisopropyl ether 149.74
    tert-amyl alcohol 126.68
    acetylacetone 346.96
    n-hexadecane 14.81
    acetophenone 173.2
    methyl propionate 241.03
    isopentyl acetate 234.93
    trichloroethylene 659.75
    n-nonanol 78.72
    cyclohexanol 218.39
    benzyl alcohol 166.54
    2-ethylhexanol 103.1
    isooctanol 81.07
    dipropyl ether 156.78
    1,2-dichlorobenzene 233.87
    ethyl lactate 84.05
    propylene carbonate 193.63
    n-methylformamide 128.45
    2-pentanol 187.71
    n-pentane 51.23
    1-propoxy-2-propanol 226.27
    1-methoxy-2-propyl acetate 324.63
    2-(2-methoxypropoxy) propanol 182.72
    mesitylene 159.17
    ε-caprolactone 282.3
    p-cymene 87.39
    epichlorohydrin 463.78
    1,1,1-trichloroethane 365.52
    2-aminoethanol 126.3
    morpholine-4-carbaldehyde 271.56
    sulfolane 162.1
    2,2,4-trimethylpentane 23.45
    2-methyltetrahydrofuran 418.3
    n-hexyl acetate 172.8
    isooctane 28.07
    2-(2-butoxyethoxy)ethanol 262.54
    sec-butyl acetate 158.87
    tert-butyl acetate 266.5
    decalin 35.61
    glycerin 108.91
    diglyme 507.89
    acrylic acid 124.76
    isopropyl myristate 90.41
    n-butyric acid 272.85
    acetyl acetate 290.33
    di(2-ethylhexyl) phthalate 82.0
    ethyl propionate 176.34
    nitromethane 257.03
    1,2-diethoxyethane 331.42
    benzonitrile 218.35
    trioctyl phosphate 57.96
    1-bromopropane 284.03
    gamma-valerolactone 477.04
    n-decanol 61.6
    triethyl phosphate 81.74
    4-methyl-2-pentanol 147.13
    propionitrile 280.32
    vinylene carbonate 231.02
    1,1,2-trichlorotrifluoroethane 242.22
    DMS 185.23
    cumene 93.82
    2-octanol 56.9
    2-hexanone 144.71
    octyl acetate 95.96
    limonene 95.73
    1,2-dimethoxyethane 389.4
    ethyl orthosilicate 88.29
    tributyl phosphate 69.01
    diacetone alcohol 202.4
    N,N-dimethylaniline 131.18
    acrylonitrile 260.11
    aniline 312.03
    1,3-propanediol 248.94
    bromobenzene 336.53
    dibromomethane 506.33
    1,1,2,2-tetrachloroethane 481.45
    2-methyl-cyclohexyl acetate 132.24
    tetrabutyl urea 72.78
    diisobutyl methanol 92.0
    2-phenylethanol 195.3
    styrene 163.93
    dioctyl adipate 101.44
    dimethyl sulfate 108.14
    ethyl butyrate 172.96
    methyl lactate 115.72
    butyl lactate 106.78
    diethyl carbonate 125.16
    propanediol butyl ether 137.79
    triethyl orthoformate 136.83
    p-tert-butyltoluene 88.58
    methyl 4-tert-butylbenzoate 150.96
    morpholine 663.49
    tert-butylamine 171.66
    n-dodecanol 50.63
    dimethoxymethane 364.16
    ethylene carbonate 225.05
    cyrene 118.66
    2-ethoxyethyl acetate 238.13
    2-ethylhexyl acetate 175.96
    1,2,4-trichlorobenzene 247.89
    4-methylpyridine 410.11
    dibutyl ether 119.3
    2,6-dimethyl-4-heptanol 92.0
    DEF 189.46
    dimethyl isosorbide 236.73
    tetrachloroethylene 348.04
    eugenol 138.89
    triacetin 193.18
    span 80 143.24
    1,4-butanediol 68.39
    1,1-dichloroethane 429.49
    2-methyl-1-pentanol 121.64
    methyl formate 104.17
    2-methyl-1-butanol 187.59
    n-decane 18.98
    butyronitrile 282.59
    3,7-dimethyl-1-octanol 101.48
    1-chlorooctane 61.07
    1-chlorotetradecane 32.16
    n-nonane 16.16
    undecane 14.84
    tert-butylcyclohexane 29.54
    cyclooctane 39.26
    cyclopentanol 173.59
    tetrahydropyran 666.52
    tert-amyl methyl ether 156.47
    2,5,8-trioxanonane 314.98
    1-hexene 80.63
    2-isopropoxyethanol 161.22
    2,2,2-trifluoroethanol 89.39
    methyl butyrate 178.49

    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