Norodovanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    54933-91-4

    Molecular formula
    C11H18O2

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

  • Odor profile

    Floral 78.14%
    Woody 50.37%
    Fruity 46.79%
    Fresh 46.74%
    Sweet 46.06%
    Herbal 44.2%
    Mint 40.11%
    Green 37.47%
    Rose 29.9%
    Spicy 29.04%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point est.
    85.45 ˚C

  • Synonyms

    • 54933-91-4
    • Norodovanone
    • RNEVZQGFNUZDJC-MIMYLULJSA-N
    • NCGC00488609-01
    • DB-310419
    • (S)-3-[(2s,5r)-tetrahydro-5-vinyl-5-methylfuran-2-yl ]-2-butanone
    • (S)-3-[(2S,5R)-Tetrahydro-5-vinyl-5-methylfuran-2-yl]-2-butanone

  • Applications

    Norodovanone (CAS 54933-91-4) is an organic compound primarily applied in research and development as a reference standard for building and validating LC/GC-MS and NMR methods (calibration curves, accuracy/precision, limits of detection, recovery), establishing chemical fingerprints and quality control in complex matrices; as a target or intermediate in organic synthesis and structural derivatization (e.g., forming oximes/hydrazones, reductions/condensations to probe carbonyl reactivity) to generate analogue libraries for structure–activity exploration; in early-stage in vitro and in silico screening (target engagement, docking, predicted ADME/Tox) and for curating spectral libraries (HRMS/MS, 1D/2D NMR) to enable identification and dereplication; it supports stability studies, storage-condition definition, packaging compatibility, traceability, and inventory management via unique CAS identification; and it is used for training, matrix spiking with internal/external standards, interlaboratory benchmarking, and intellectual property referencing, with the caveat that it is for research use only and not intended for administration to humans or animals.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1189.61
    methanol 1597.13
    isopropanol 1249.14
    water 27.31
    ethyl acetate 811.03
    n-propanol 1020.44
    acetone 789.24
    n-butanol 1001.16
    acetonitrile 948.52
    DMF 1051.29
    toluene 637.68
    isobutanol 894.49
    1,4-dioxane 1644.25
    methyl acetate 810.97
    THF 1422.82
    2-butanone 770.15
    n-pentanol 652.41
    sec-butanol 1030.22
    n-hexane 114.08
    ethylene glycol 336.69
    NMP 879.54
    cyclohexane 224.85
    DMSO 752.74
    n-butyl acetate 453.97
    n-octanol 370.46
    chloroform 3336.4
    n-propyl acetate 404.02
    acetic acid 831.55
    dichloromethane 2274.0
    cyclohexanone 1027.15
    propylene glycol 585.95
    isopropyl acetate 569.41
    DMAc 1104.21
    2-ethoxyethanol 751.4
    isopentanol 908.91
    n-heptane 61.57
    ethyl formate 548.21
    1,2-dichloroethane 978.56
    n-hexanol 703.99
    2-methoxyethanol 1126.94
    isobutyl acetate 310.89
    tetrachloromethane 583.38
    n-pentyl acetate 333.31
    transcutol 1893.07
    n-heptanol 315.53
    ethylbenzene 354.44
    MIBK 446.39
    2-propoxyethanol 904.13
    tert-butanol 1281.07
    MTBE 936.9
    2-butoxyethanol 487.31
    propionic acid 726.79
    o-xylene 426.42
    formic acid 413.53
    diethyl ether 734.38
    m-xylene 442.68
    p-xylene 503.91
    chlorobenzene 758.82
    dimethyl carbonate 294.85
    n-octane 32.8
    formamide 500.18
    cyclopentanone 873.93
    2-pentanone 578.02
    anisole 634.58
    cyclopentyl methyl ether 669.67
    gamma-butyrolactone 1009.03
    1-methoxy-2-propanol 928.33
    pyridine 961.89
    3-pentanone 475.73
    furfural 1031.62
    n-dodecane 34.18
    diethylene glycol 732.35
    diisopropyl ether 260.39
    tert-amyl alcohol 995.58
    acetylacetone 674.32
    n-hexadecane 38.53
    acetophenone 535.57
    methyl propionate 548.67
    isopentyl acetate 446.98
    trichloroethylene 1895.53
    n-nonanol 313.03
    cyclohexanol 911.51
    benzyl alcohol 577.09
    2-ethylhexanol 350.97
    isooctanol 254.67
    dipropyl ether 271.38
    1,2-dichlorobenzene 668.93
    ethyl lactate 245.66
    propylene carbonate 692.62
    n-methylformamide 619.27
    2-pentanol 711.56
    n-pentane 134.97
    1-propoxy-2-propanol 555.57
    1-methoxy-2-propyl acetate 504.73
    2-(2-methoxypropoxy) propanol 458.77
    mesitylene 275.6
    ε-caprolactone 974.34
    p-cymene 194.79
    epichlorohydrin 1128.16
    1,1,1-trichloroethane 1347.64
    2-aminoethanol 678.31
    morpholine-4-carbaldehyde 1140.94
    sulfolane 865.3
    2,2,4-trimethylpentane 94.31
    2-methyltetrahydrofuran 1205.88
    n-hexyl acetate 574.74
    isooctane 61.22
    2-(2-butoxyethoxy)ethanol 643.8
    sec-butyl acetate 350.9
    tert-butyl acetate 519.6
    decalin 113.39
    glycerin 600.45
    diglyme 1100.45
    acrylic acid 592.84
    isopropyl myristate 211.46
    n-butyric acid 898.59
    acetyl acetate 606.75
    di(2-ethylhexyl) phthalate 213.76
    ethyl propionate 373.61
    nitromethane 1069.89
    1,2-diethoxyethane 570.23
    benzonitrile 688.81
    trioctyl phosphate 149.21
    1-bromopropane 765.2
    gamma-valerolactone 1201.57
    n-decanol 220.17
    triethyl phosphate 188.74
    4-methyl-2-pentanol 431.69
    propionitrile 764.46
    vinylene carbonate 693.17
    1,1,2-trichlorotrifluoroethane 882.64
    DMS 431.7
    cumene 256.04
    2-octanol 245.07
    2-hexanone 431.38
    octyl acetate 261.62
    limonene 263.18
    1,2-dimethoxyethane 1093.31
    ethyl orthosilicate 187.82
    tributyl phosphate 186.75
    diacetone alcohol 564.93
    N,N-dimethylaniline 415.13
    acrylonitrile 776.49
    aniline 744.51
    1,3-propanediol 772.45
    bromobenzene 816.37
    dibromomethane 1493.0
    1,1,2,2-tetrachloroethane 1609.02
    2-methyl-cyclohexyl acetate 317.32
    tetrabutyl urea 213.65
    diisobutyl methanol 198.41
    2-phenylethanol 521.19
    styrene 435.42
    dioctyl adipate 270.32
    dimethyl sulfate 419.44
    ethyl butyrate 332.9
    methyl lactate 351.29
    butyl lactate 269.97
    diethyl carbonate 268.03
    propanediol butyl ether 517.06
    triethyl orthoformate 242.82
    p-tert-butyltoluene 186.53
    methyl 4-tert-butylbenzoate 397.29
    morpholine 1553.18
    tert-butylamine 903.8
    n-dodecanol 166.9
    dimethoxymethane 671.45
    ethylene carbonate 597.42
    cyrene 411.2
    2-ethoxyethyl acetate 445.77
    2-ethylhexyl acetate 343.89
    1,2,4-trichlorobenzene 800.75
    4-methylpyridine 1095.6
    dibutyl ether 323.63
    2,6-dimethyl-4-heptanol 198.41
    DEF 644.0
    dimethyl isosorbide 644.33
    tetrachloroethylene 1059.5
    eugenol 390.82
    triacetin 506.4
    span 80 397.77
    1,4-butanediol 377.8
    1,1-dichloroethane 1431.6
    2-methyl-1-pentanol 628.37
    methyl formate 482.83
    2-methyl-1-butanol 866.18
    n-decane 57.34
    butyronitrile 805.17
    3,7-dimethyl-1-octanol 360.47
    1-chlorooctane 229.02
    1-chlorotetradecane 92.58
    n-nonane 53.87
    undecane 42.2
    tert-butylcyclohexane 109.21
    cyclooctane 75.07
    cyclopentanol 834.6
    tetrahydropyran 1261.59
    tert-amyl methyl ether 632.9
    2,5,8-trioxanonane 707.46
    1-hexene 350.78
    2-isopropoxyethanol 537.82
    2,2,2-trifluoroethanol 402.79
    methyl butyrate 482.38

    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
Davana (India) 1 8016-03-3 Artemisia pallens Wall. ex DC., fam. Asteraceae (Compositae) 0.05%
Artemisia judaica (Israel) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.1%
Davana (India) 2 8016-03-3 Artemisia pallens Wall. ex DC., fam. Asteraceae (Compositae) 1.5%
Armoise (Spain) ssp. valentina 8008-93-3 Artemisia herba-alba Asso ssp. valentina (Lam.) Marcl., fam. Asteraceae 0.2%