Niveusin C

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  • Identifiers

    CAS number
    75680-27-2

    Molecular formula
    C20H26O7

    SMILES
    C/C=C(/C)\C(=O)O[C@@H]1C[C@@]2([C@H](C[C@@](O2)(/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 45.86%
    Odorless 40.3%
    Caramellic 28.82%
    Mint 27.22%
    Spicy 27.18%
    Nutty 23.17%
    Burnt 22.35%
    Woody 21.9%
    Lactonic 20.71%
    Roasted 20.6%

     

    Flavor
    Bitter 85.51%
    Cedarleaf 20.67%
    Sweet-like 19.87%
    Lovage 19.86%
    Parsley 19.61%
    Leaves 19.52%
    Seedy 19.49%
    Ripe apricot 19.48%
    Cotton candy 19.47%
    Extremely sweet 19.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    4.39 (weak acid)

    Molecular weight
    378.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1002°C

    Flash point

    • 219.79 ˚C est.

  • Synonyms

    • Niveusin C
    • 75680-27-2
    • [(1R,2Z,4R,8R,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate
    • C09517
    • CHEBI:7600
    • Q27107537
    • 75680-27-2

  • Applications

    Niveusin C (CAS 75680-27-2) may be used as a solvent, stabilizer, and/or odorant or processing intermediate in a range of chemical formulations. Practical applications are typically considered in domains such as perfumery/fragrance (odorant and potential fixative), cosmetics/personal care (solvent or ingredient in cosmetic formulations), household products/cleaning (solvent or additive in cleaners and domestic products), coatings/inks (solvent or additive for paints and inks), polymers/plastics (processing aid or stabilizer for plastics and polymer systems), and adhesives (solvent or additive to improve adhesion).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 600.79
    methanol 814.36
    isopropanol 414.14
    water 0.87
    ethyl acetate 466.28
    n-propanol 558.06
    acetone 990.28
    n-butanol 418.62
    acetonitrile 346.42
    DMF 2120.84
    toluene 77.65
    isobutanol 298.63
    1,4-dioxane 800.79
    methyl acetate 450.59
    THF 1725.59
    2-butanone 617.95
    n-pentanol 254.79
    sec-butanol 321.92
    n-hexane 3.29
    ethylene glycol 112.26
    NMP 1135.09
    cyclohexane 5.49
    DMSO 2037.38
    n-butyl acetate 185.93
    n-octanol 61.26
    chloroform 822.35
    n-propyl acetate 245.88
    acetic acid 1538.67
    dichloromethane 624.21
    cyclohexanone 638.83
    propylene glycol 170.35
    isopropyl acetate 277.77
    DMAc 1447.83
    2-ethoxyethanol 707.94
    isopentanol 263.46
    n-heptane 1.65
    ethyl formate 392.13
    1,2-dichloroethane 396.08
    n-hexanol 156.97
    2-methoxyethanol 1303.82
    isobutyl acetate 137.58
    tetrachloromethane 61.49
    n-pentyl acetate 136.29
    transcutol 694.96
    n-heptanol 77.55
    ethylbenzene 40.65
    MIBK 249.0
    2-propoxyethanol 612.94
    tert-butanol 291.75
    MTBE 141.5
    2-butoxyethanol 287.27
    propionic acid 461.81
    o-xylene 45.07
    formic acid 791.95
    diethyl ether 280.48
    m-xylene 47.0
    p-xylene 51.67
    chlorobenzene 132.72
    dimethyl carbonate 391.83
    n-octane 1.27
    formamide 1181.67
    cyclopentanone 1009.43
    2-pentanone 528.37
    anisole 191.31
    cyclopentyl methyl ether 345.99
    gamma-butyrolactone 1154.38
    1-methoxy-2-propanol 888.79
    pyridine 546.95
    3-pentanone 294.18
    furfural 786.67
    n-dodecane 1.49
    diethylene glycol 446.39
    diisopropyl ether 41.83
    tert-amyl alcohol 222.52
    acetylacetone 648.44
    n-hexadecane 1.79
    acetophenone 229.62
    methyl propionate 447.14
    isopentyl acetate 162.68
    trichloroethylene 945.18
    n-nonanol 63.49
    cyclohexanol 227.61
    benzyl alcohol 236.39
    2-ethylhexanol 62.55
    isooctanol 60.26
    dipropyl ether 72.37
    1,2-dichlorobenzene 137.55
    ethyl lactate 171.16
    propylene carbonate 528.4
    n-methylformamide 1092.95
    2-pentanol 194.77
    n-pentane 4.09
    1-propoxy-2-propanol 289.35
    1-methoxy-2-propyl acetate 301.55
    2-(2-methoxypropoxy) propanol 210.9
    mesitylene 23.44
    ε-caprolactone 636.23
    p-cymene 20.28
    epichlorohydrin 1260.31
    1,1,1-trichloroethane 272.9
    2-aminoethanol 302.85
    morpholine-4-carbaldehyde 1285.62
    sulfolane 1214.59
    2,2,4-trimethylpentane 2.81
    2-methyltetrahydrofuran 619.06
    n-hexyl acetate 180.0
    isooctane 1.94
    2-(2-butoxyethoxy)ethanol 300.52
    sec-butyl acetate 147.08
    tert-butyl acetate 235.2
    decalin 4.2
    glycerin 321.84
    diglyme 572.21
    acrylic acid 462.82
    isopropyl myristate 57.74
    n-butyric acid 684.62
    acetyl acetate 315.59
    di(2-ethylhexyl) phthalate 75.46
    ethyl propionate 227.66
    nitromethane 1935.28
    1,2-diethoxyethane 190.87
    benzonitrile 186.9
    trioctyl phosphate 56.01
    1-bromopropane 170.66
    gamma-valerolactone 1716.8
    n-decanol 40.89
    triethyl phosphate 76.54
    4-methyl-2-pentanol 91.55
    propionitrile 276.01
    vinylene carbonate 536.39
    1,1,2-trichlorotrifluoroethane 882.15
    DMS 193.61
    cumene 25.75
    2-octanol 45.29
    2-hexanone 248.7
    octyl acetate 84.1
    limonene 29.79
    1,2-dimethoxyethane 801.15
    ethyl orthosilicate 67.17
    tributyl phosphate 69.62
    diacetone alcohol 360.86
    N,N-dimethylaniline 116.86
    acrylonitrile 393.37
    aniline 217.39
    1,3-propanediol 544.06
    bromobenzene 110.03
    dibromomethane 340.77
    1,1,2,2-tetrachloroethane 657.74
    2-methyl-cyclohexyl acetate 113.96
    tetrabutyl urea 102.3
    diisobutyl methanol 31.75
    2-phenylethanol 181.16
    styrene 55.84
    dioctyl adipate 101.99
    dimethyl sulfate 642.65
    ethyl butyrate 131.42
    methyl lactate 357.57
    butyl lactate 132.65
    diethyl carbonate 94.79
    propanediol butyl ether 206.91
    triethyl orthoformate 94.38
    p-tert-butyltoluene 19.4
    methyl 4-tert-butylbenzoate 165.84
    morpholine 1160.09
    tert-butylamine 89.52
    n-dodecanol 27.16
    dimethoxymethane 1184.6
    ethylene carbonate 464.43
    cyrene 287.25
    2-ethoxyethyl acetate 240.22
    2-ethylhexyl acetate 110.7
    1,2,4-trichlorobenzene 189.83
    4-methylpyridine 489.26
    dibutyl ether 56.01
    2,6-dimethyl-4-heptanol 31.75
    DEF 576.95
    dimethyl isosorbide 364.67
    tetrachloroethylene 396.29
    eugenol 174.79
    triacetin 196.21
    span 80 157.65
    1,4-butanediol 193.28
    1,1-dichloroethane 365.92
    2-methyl-1-pentanol 175.68
    methyl formate 809.83
    2-methyl-1-butanol 265.88
    n-decane 2.89
    butyronitrile 268.72
    3,7-dimethyl-1-octanol 61.25
    1-chlorooctane 22.83
    1-chlorotetradecane 8.14
    n-nonane 2.15
    undecane 1.98
    tert-butylcyclohexane 3.17
    cyclooctane 1.64
    cyclopentanol 340.53
    tetrahydropyran 558.89
    tert-amyl methyl ether 118.72
    2,5,8-trioxanonane 360.62
    1-hexene 27.67
    2-isopropoxyethanol 344.53
    2,2,2-trifluoroethanol 458.23
    methyl butyrate 307.22

    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