Nobilin

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  • Identifiers

    CAS number
    31824-11-0

    Molecular formula
    C20H26O5

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 60.29%
    Mint 44.71%
    Caramellic 37.78%
    Spicy 36.57%
    Herbal 31.78%
    Nutty 27.85%
    Woody 26.95%
    Tobacco 26.4%
    Burnt 25.74%
    Hay 24.83%

     

    Flavor
    Bitter 66.15%
    Minty 24.75%
    Basil 20.68%
    Lovage 20.52%
    Leaves 20.28%
    Cedarleaf 19.7%
    Fenugreek 19.54%
    Seedy 19.51%
    Extremely sweet 19.46%
    Cotton candy 19.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.66 (neutral)

    Molecular weight
    346.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    661°C

    Flash point

    • 202.81 ˚C est.

  • Synonyms

    • 83EYM5HY0T
    • UNII-83EYM5HY0T
    • 2-BUTENOIC ACID, 2-METHYL-, (3AR,4S,6E,9S,10Z,11AS)-2,3,3A,4,5,8,9,11A-OCTAHYDRO-9-HYDROXY-6,10-DIMETHYL-3-METHYLENE-2-OXOCYCLODECA(B)FURAN-4-YL ESTER
    • 31824-11-0
    • RefChem:44153
    • GERMACRA-1(10),4,11(13)-TRIEN-12-OIC ACID, 3beta,6beta,8alpha-TRIHYDROXY-, 12,6-LACTONE, 8-(2-METHYLCROTONATE)
    • Nobilin
    • CHEMBL3403920
    • GERMACRA-1(10),4,11(13)-TRIEN-12-OIC ACID, 3.BETA.,6.BETA.,8.ALPHA.-TRIHYDROXY-, 12,6-LACTONE, 8-(2-METHYLCROTONATE)
    • 31824-11-0

  • Applications

    Nobilin (CAS 31824-11-0) is used as an aroma ingredient, commonly serving as an odorant and sometimes as a fixative in perfumery formulations. In cosmetics and personal care, it may appear as a fragrance component to deliver a characteristic scent in products such as fragrances, creams, and shower gels. In household and cleaning products, Nobilin can be used to impart or enhance pleasant scent profiles. In industrial manufacturing, it can be evaluated as an aroma additive within formulation systems, potentially acting as a fragrance carrier or scent modifier, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 170.89
    methanol 160.33
    isopropanol 165.98
    water 0.05
    ethyl acetate 254.44
    n-propanol 213.13
    acetone 259.43
    n-butanol 215.81
    acetonitrile 96.33
    DMF 399.32
    toluene 190.01
    isobutanol 157.11
    1,4-dioxane 422.59
    methyl acetate 202.19
    THF 736.68
    2-butanone 301.57
    n-pentanol 180.52
    sec-butanol 218.98
    n-hexane 5.67
    ethylene glycol 9.48
    NMP 336.73
    cyclohexane 11.59
    DMSO 310.02
    n-butyl acetate 159.68
    n-octanol 52.89
    chloroform 634.28
    n-propyl acetate 166.51
    acetic acid 258.0
    dichloromethane 428.56
    cyclohexanone 385.53
    propylene glycol 29.13
    isopropyl acetate 188.98
    DMAc 589.52
    2-ethoxyethanol 277.47
    isopentanol 200.49
    n-heptane 2.61
    ethyl formate 108.2
    1,2-dichloroethane 268.69
    n-hexanol 143.75
    2-methoxyethanol 273.2
    isobutyl acetate 115.19
    tetrachloromethane 50.56
    n-pentyl acetate 116.96
    transcutol 608.74
    n-heptanol 71.26
    ethylbenzene 90.12
    MIBK 166.91
    2-propoxyethanol 280.52
    tert-butanol 166.36
    MTBE 156.89
    2-butoxyethanol 172.98
    propionic acid 131.01
    o-xylene 95.6
    formic acid 68.51
    diethyl ether 225.23
    m-xylene 98.21
    p-xylene 107.91
    chlorobenzene 182.23
    dimethyl carbonate 113.05
    n-octane 1.81
    formamide 115.38
    cyclopentanone 364.53
    2-pentanone 269.1
    anisole 178.32
    cyclopentyl methyl ether 254.09
    gamma-butyrolactone 350.33
    1-methoxy-2-propanol 265.56
    pyridine 362.44
    3-pentanone 191.77
    furfural 268.17
    n-dodecane 2.1
    diethylene glycol 139.9
    diisopropyl ether 50.63
    tert-amyl alcohol 189.25
    acetylacetone 270.01
    n-hexadecane 2.52
    acetophenone 189.57
    methyl propionate 203.22
    isopentyl acetate 162.61
    trichloroethylene 574.43
    n-nonanol 58.52
    cyclohexanol 199.2
    benzyl alcohol 180.19
    2-ethylhexanol 74.79
    isooctanol 61.03
    dipropyl ether 62.43
    1,2-dichlorobenzene 151.64
    ethyl lactate 86.57
    propylene carbonate 206.36
    n-methylformamide 136.18
    2-pentanol 171.94
    n-pentane 5.8
    1-propoxy-2-propanol 162.97
    1-methoxy-2-propyl acetate 195.21
    2-(2-methoxypropoxy) propanol 165.6
    mesitylene 49.12
    ε-caprolactone 343.97
    p-cymene 34.57
    epichlorohydrin 490.86
    1,1,1-trichloroethane 233.05
    2-aminoethanol 43.98
    morpholine-4-carbaldehyde 439.97
    sulfolane 337.29
    2,2,4-trimethylpentane 6.26
    2-methyltetrahydrofuran 425.52
    n-hexyl acetate 142.95
    isooctane 4.17
    2-(2-butoxyethoxy)ethanol 228.4
    sec-butyl acetate 143.75
    tert-butyl acetate 178.03
    decalin 10.48
    glycerin 52.85
    diglyme 392.11
    acrylic acid 105.69
    isopropyl myristate 54.48
    n-butyric acid 243.52
    acetyl acetate 153.99
    di(2-ethylhexyl) phthalate 71.04
    ethyl propionate 140.33
    nitromethane 299.62
    1,2-diethoxyethane 194.23
    benzonitrile 144.75
    trioctyl phosphate 48.53
    1-bromopropane 161.91
    gamma-valerolactone 544.45
    n-decanol 40.17
    triethyl phosphate 66.94
    4-methyl-2-pentanol 97.1
    propionitrile 115.35
    vinylene carbonate 188.42
    1,1,2-trichlorotrifluoroethane 280.35
    DMS 130.08
    cumene 52.71
    2-octanol 47.49
    2-hexanone 179.28
    octyl acetate 73.04
    limonene 46.91
    1,2-dimethoxyethane 379.91
    ethyl orthosilicate 65.22
    tributyl phosphate 59.89
    diacetone alcohol 207.0
    N,N-dimethylaniline 118.68
    acrylonitrile 128.61
    aniline 207.91
    1,3-propanediol 113.12
    bromobenzene 178.45
    dibromomethane 286.11
    1,1,2,2-tetrachloroethane 461.7
    2-methyl-cyclohexyl acetate 107.18
    tetrabutyl urea 75.9
    diisobutyl methanol 40.47
    2-phenylethanol 158.38
    styrene 111.47
    dioctyl adipate 87.94
    dimethyl sulfate 163.64
    ethyl butyrate 108.81
    methyl lactate 105.17
    butyl lactate 97.75
    diethyl carbonate 77.37
    propanediol butyl ether 125.32
    triethyl orthoformate 85.53
    p-tert-butyltoluene 32.75
    methyl 4-tert-butylbenzoate 134.37
    morpholine 563.07
    tert-butylamine 77.51
    n-dodecanol 28.32
    dimethoxymethane 319.97
    ethylene carbonate 169.23
    cyrene 176.62
    2-ethoxyethyl acetate 189.66
    2-ethylhexyl acetate 123.08
    1,2,4-trichlorobenzene 194.99
    4-methylpyridine 378.89
    dibutyl ether 59.43
    2,6-dimethyl-4-heptanol 40.47
    DEF 277.7
    dimethyl isosorbide 253.91
    tetrachloroethylene 266.81
    eugenol 138.27
    triacetin 146.69
    span 80 129.55
    1,4-butanediol 50.75
    1,1-dichloroethane 283.5
    2-methyl-1-pentanol 185.29
    methyl formate 102.38
    2-methyl-1-butanol 210.15
    n-decane 3.78
    butyronitrile 128.93
    3,7-dimethyl-1-octanol 63.38
    1-chlorooctane 26.62
    1-chlorotetradecane 10.85
    n-nonane 2.84
    undecane 2.68
    tert-butylcyclohexane 7.86
    cyclooctane 3.61
    cyclopentanol 171.97
    tetrahydropyran 439.52
    tert-amyl methyl ether 145.57
    2,5,8-trioxanonane 265.26
    1-hexene 47.72
    2-isopropoxyethanol 206.05
    2,2,2-trifluoroethanol 76.25
    methyl butyrate 183.66

    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